The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
7-fluoro-2-hydroxy-pyrido[1,2-a]pyrimidin-4-one - 97%, high purity , CAS No.1449598-85-9
Basic Description
Synonyms
IJPUKUSYXQAGHU-UHFFFAOYSA-N | 4H-Pyrido[1,2-a]pyrimidin-4-one, 7-fluoro-2-hydroxy- | MFCD28365090 | A937539 | AKOS037648741 | 7-fluoro-2-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one | 1449598-85-9 | 7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one | E73565 | BS-
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyridopyrimidines
Alternative Parents
Pyrimidones Hydroxypyrimidines Pyridines and derivatives Aryl fluorides Vinylogous acids Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridopyrimidine - Hydroxypyrimidine - Pyrimidone - Pyrimidine - Pyridine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Vinylogous acid - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one
INCHI
InChI=1S/C8H5FN2O2/c9-5-1-2-6-10-7(12)3-8(13)11(6)4-5/h1-4,12H
InChIKey
IJPUKUSYXQAGHU-UHFFFAOYSA-N
Smiles
C1=CC2=NC(=CC(=O)N2C=C1F)O
Isomeric SMILES
C1=CC2=NC(=CC(=O)N2C=C1F)O
Alternate CAS
1449598-85-9
PubChem CID
136629818
Molecular Weight
180.14
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
180.140 g/mol
XLogP3
-0.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
180.034 Da
Monoisotopic Mass
180.034 Da
Topological Polar Surface Area
52.900 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
393.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
