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3-Hydroxyisonicotinonitrile - 98%, high purity , CAS No.87032-82-4

COA

Grade & Purity:

≥98%

Cas Number: 87032-82-4
Molecular Weight: 120.11
PubChem CID: 12959077

In stock

Item Number

H590427

Grouped product items
SKU	Size	Availability	Price	Qty
H590427-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$558.90

Basic Description

Synonyms	SCHEMBL191406 \| DTXSID80514034 \| DS-4108 \| 3-Hydroxyisonicotinonitrile \| MFCD13175206 \| WHPBWFPVRFLVMZ-UHFFFAOYSA-N \| FT-0689994 \| Z1255404294 \| AKOS005199116 \| AT12828 \| EN300-119042 \| 4-PYRIDINECARBONITRILE, 3-HYDROXY- \| 3-Hydroxypyridine-4-carbonitrile
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Hydroxypyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Hydroxypyridines
Intermediate Tree Nodes	Not available
Direct Parent	Hydroxypyridines
Alternative Parents	Heteroaromatic compounds Nitriles Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Hydroxypyridine - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as hydroxypyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a hydroxyl group.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	3-hydroxypyridine-4-carbonitrile
INCHI	InChI=1S/C6H4N2O/c7-3-5-1-2-8-4-6(5)9/h1-2,4,9H
InChIKey	WHPBWFPVRFLVMZ-UHFFFAOYSA-N
Smiles	C1=CN=CC(=C1C#N)O
Isomeric SMILES	C1=CN=CC(=C1C#N)O
Molecular Weight	120.11
Reaxy-Rn	6190563
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6190563&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	120.110 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	120.032 Da
Monoisotopic Mass	120.032 Da
Topological Polar Surface Area	56.900 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	137.000
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

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