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Pyridinecarboxylic acids and derivatives
Description:
Compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof.
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2-(Azepan-1-yl)isonicotinic acidCas Number: 885277-05-4 Compound CID: 40425213Formula: C12H16N2O2 Molecular Weight: 220.27IUPAC Name: 2-(azepan-1-yl)pyridine-4-carboxylic acidSMILES: C1CCCN(CC1)C2=NC=CC(=C2)C(=O)OInChIKey: UYWSWXXMUJAYFS-UHFFFAOYSA-NInChI: InChI=1S/C12H16N2O2/c15-12(16)10-5-6-13-11(9-10)14-7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2,(H,15,16)
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1-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acidCas Number: 10561-89-4 Compound CID: 22498643Formula: C7H7NO3 Molecular Weight: 153.14IUPAC Name: 1-methyl-4-oxopyridine-3-carboxylic acidSMILES: CN1C=CC(=O)C(=C1)C(=O)OInChIKey: NYPMLQVMDQQNIL-UHFFFAOYSA-NInChI: InChI=1S/C7H7NO3/c1-8-3-2-6(9)5(4-8)7(10)11/h2-4H,1H3,(H,10,11)
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1-(4-Fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acidCas Number: 868171-67-9 Compound CID: 21081527IUPAC Name: 1-(4-fluorophenyl)-2-oxopyridine-3-carboxylic acidSMILES: C1=CN(C(=O)C(=C1)C(=O)O)C2=CC=C(C=C2)FInChIKey: WPJGHIVGAOVUAT-UHFFFAOYSA-NInChI: InChI=1S/C12H8FNO3/c13-8-3-5-9(6-4-8)14-7-1-2-10(11(14)15)12(16)17/h1-7H,(H,16,17)
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(6-((4-Methoxybenzyl)carbamoyl)pyridin-3-yl)boronic acidCas Number: 1072946-22-5 Compound CID: 46738811Formula: C14H15BN2O4 Molecular Weight: 286.09IUPAC Name: [6-[(4-methoxyphenyl)methylcarbamoyl]pyridin-3-yl]boronic acidSMILES: B(C1=CN=C(C=C1)C(=O)NCC2=CC=C(C=C2)OC)(O)OInChIKey: JNXUVKTWNOJCPO-UHFFFAOYSA-NInChI: InChI=1S/C14H15BN2O4/c1-21-12-5-2-10(3-6-12)8-17-14(18)13-7-4-11(9-16-13)15(19)20/h2-7,9,19-20H,8H2,1H3,(H,17,18)
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(6-(Methylcarbamoyl)pyridin-3-yl)boronic acidCas Number: 1217340-94-7 Compound CID: 71463925Formula: C7H9BN2O3 Molecular Weight: 179.97IUPAC Name: [6-(methylcarbamoyl)pyridin-3-yl]boronic acidSMILES: B(C1=CN=C(C=C1)C(=O)NC)(O)OInChIKey: MWDGTPAHKOWCSY-UHFFFAOYSA-NInChI: InChI=1S/C7H9BN2O3/c1-9-7(11)6-3-2-5(4-10-6)8(12)13/h2-4,12-13H,1H3,(H,9,11)
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tert-Butyl 6-fluoronicotinateCas Number: 676560-01-3 Compound CID: 66756622Formula: C10H12FNO2 Molecular Weight: 197.21IUPAC Name: tert-butyl 6-fluoropyridine-3-carboxylateSMILES: CC(C)(C)OC(=O)C1=CN=C(C=C1)FInChIKey: RZWMKWGTXCIWLV-UHFFFAOYSA-NInChI: InChI=1S/C10H12FNO2/c1-10(2,3)14-9(13)7-4-5-8(11)12-6-7/h4-6H,1-3H3
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tert-Butyl 2-chloronicotinateCas Number: 232951-83-6 Compound CID: 11195236Formula: C10H12NO2Cl Molecular Weight: 213.66IUPAC Name: tert-butyl 2-chloropyridine-3-carboxylateSMILES: CC(C)(C)OC(=O)C1=C(N=CC=C1)ClInChIKey: BKRYJISKTILWAE-UHFFFAOYSA-NInChI: InChI=1S/C10H12ClNO2/c1-10(2,3)14-9(13)7-5-4-6-12-8(7)11/h4-6H,1-3H3
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N,2-Dimethoxy-N-methylisonicotinamideCas Number: 764708-19-2 Compound CID: 53216603Formula: C9H12N2O3 Molecular Weight: 196.206IUPAC Name: N,2-dimethoxy-N-methylpyridine-4-carboxamideSMILES: CN(C(=O)C1=CC(=NC=C1)OC)OCInChIKey: UYQRPQPMWPDCQB-UHFFFAOYSA-NInChI: InChI=1S/C9H12N2O3/c1-11(14-3)9(12)7-4-5-10-8(6-7)13-2/h4-6H,1-3H3
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N-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinamideCas Number: 1218791-25-3 Compound CID: 53217137Formula: C13H19BN2O3 Molecular Weight: 262.11IUPAC Name: N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamideSMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)C(=O)NCInChIKey: JHTSMDYANXANST-UHFFFAOYSA-NInChI: InChI=1S/C13H19BN2O3/c1-12(2)13(3,4)19-14(18-12)10-6-9(7-16-8-10)11(17)15-5/h6-8H,1-5H3,(H,15,17)
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N-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamideCas Number: 1313738-91-8 Compound CID: 49760437Formula: C13H19BN2O3 Molecular Weight: 262.12IUPAC Name: N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamideSMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)C(=O)NCInChIKey: HPVYZHWJBWMPHQ-UHFFFAOYSA-NInChI: InChI=1S/C13H19BN2O3/c1-12(2)13(3,4)19-14(18-12)9-6-7-16-10(8-9)11(17)15-5/h6-8H,1-5H3,(H,15,17)
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N-(Pyridin-4-yl)pyridine-4-carboxamideCas Number: 64479-78-3 Compound CID: 3758644Formula: C11H9N3O Molecular Weight: 199.21IUPAC Name: N-pyridin-4-ylpyridine-4-carboxamideSMILES: C1=CN=CC=C1C(=O)NC2=CC=NC=C2InChIKey: VEZNVMFOOMYSBF-UHFFFAOYSA-NInChI: InChI=1S/C11H9N3O/c15-11(9-1-5-12-6-2-9)14-10-3-7-13-8-4-10/h1-8H,(H,13,14,15)
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Methyl2-acetamidoisonicotinateCas Number: 98953-21-0 Compound CID: 22185175Formula: C9H10N2O3 Molecular Weight: 194.19IUPAC Name: methyl 2-acetamidopyridine-4-carboxylateSMILES: CC(=O)NC1=NC=CC(=C1)C(=O)OCInChIKey: QWCIOJMEKSDWSJ-UHFFFAOYSA-NInChI: InChI=1S/C9H10N2O3/c1-6(12)11-8-5-7(3-4-10-8)9(13)14-2/h3-5H,1-2H3,(H,10,11,12)
