4-[(E)-2-hydroxyethenyl]pyridine-3-carbonitrile

C8H6N2O — CID 135432173

IUPAC4-[(E)-2-hydroxyethenyl]pyridine-3-carbonitrile
SMILESN#Cc1cnccc1/C=C/O
InChIInChI=1S/C8H6N2O/c9-5-8-6-10-3-1-7(8)2-4-11/h1-4,6,11H/b4-2+
InChIKeyJXAIGNQNHHYHTK-DUXPYHPUSA-N
MW146.15 g/mol
LogP1.48
Rot. Bonds1

About 4-[(E)-2-hydroxyethenyl]pyridine-3-carbonitrile

4-[(E)-2-hydroxyethenyl]pyridine-3-carbonitrile (PubChem CID 135432173) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 4-[(E)-2-hydroxyethenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(E)-2-hydroxyethenyl]pyridine-3-carbonitrile
PubChem CID135432173
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name4-[(E)-2-hydroxyethenyl]pyridine-3-carbonitrile
SMILESN#Cc1cnccc1/C=C/O
InChIInChI=1S/C8H6N2O/c9-5-8-6-10-3-1-7(8)2-4-11/h1-4,6,11H/b4-2+
InChIKeyJXAIGNQNHHYHTK-DUXPYHPUSA-N
XLogP1.48
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]pyridine-3-carbonitrile
CID 127265784
4-[2-(5-nitrothiophen-3-yl)ethenyl]pyridine-3-carbonitrile
CID 126808846
4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-3-carbonitrile
CID 127265253
4-bromopyridine-3-carbonitrile
CID 22329522
4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethenyl]pyridine-3-carbonitrile
CID 127264875
3-[2-(dimethylamino)ethenyl]pyridine-4-carbonitrile
CID 53441182
3-cyanopyridine-4-carboxamide
CID 68581074
4-ethoxypyridine-3-carbonitrile;formic acid
CID 175946490
4-aminopyridine-3-carbonitrile;(4-amino-3-pyridinyl)-phenylmethanone
CID 159414201
4-[ethyl(hydroxy)amino]pyridine-3-carbonitrile
CID 90803021
butane;ethane;4-methylpyridine-3-carbonitrile
CID 171848081
3-(3-methyl-4-pyridinyl)prop-2-enenitrile
CID 169483055

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-hydroxyethenyl]pyridine-3-carbonitrile?
The IUPAC name of 4-[(E)-2-hydroxyethenyl]pyridine-3-carbonitrile (CID 135432173) is 4-[(E)-2-hydroxyethenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(E)-2-hydroxyethenyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-[(E)-2-hydroxyethenyl]pyridine-3-carbonitrile is N#Cc1cnccc1/C=C/O.
What is the InChIKey of 4-[(E)-2-hydroxyethenyl]pyridine-3-carbonitrile?
The InChIKey is JXAIGNQNHHYHTK-DUXPYHPUSA-N. The full InChI is InChI=1S/C8H6N2O/c9-5-8-6-10-3-1-7(8)2-4-11/h1-4,6,11H/b4-2+.
What are the key properties of 4-[(E)-2-hydroxyethenyl]pyridine-3-carbonitrile?
4-[(E)-2-hydroxyethenyl]pyridine-3-carbonitrile has a molecular weight of 146.15 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-hydroxyethenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 135432173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).