2-(5-hydroxy-6-methyl-3-pyridinyl)acetonitrile

C8H8N2O — CID 130786986

IUPAC2-(5-hydroxy-6-methyl-3-pyridinyl)acetonitrile
SMILESCc1ncc(CC#N)cc1O
InChIInChI=1S/C8H8N2O/c1-6-8(11)4-7(2-3-9)5-10-6/h4-5,11H,2H2,1H3
InChIKeyTXMOQKDWJLSPFV-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.16
Rot. Bonds1

About 2-(5-hydroxy-6-methyl-3-pyridinyl)acetonitrile

2-(5-hydroxy-6-methyl-3-pyridinyl)acetonitrile (PubChem CID 130786986) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-(5-hydroxy-6-methyl-3-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(5-hydroxy-6-methyl-3-pyridinyl)acetonitrile
PubChem CID130786986
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name2-(5-hydroxy-6-methyl-3-pyridinyl)acetonitrile
SMILESCc1ncc(CC#N)cc1O
InChIInChI=1S/C8H8N2O/c1-6-8(11)4-7(2-3-9)5-10-6/h4-5,11H,2H2,1H3
InChIKeyTXMOQKDWJLSPFV-UHFFFAOYSA-N
XLogP1.16
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(cyanomethyl)-3-methylpyridine-2-carboxylate
CID 130050397
2-(4-chloro-3-hydroxy-5-methylphenyl)acetonitrile
CID 84768635
2-(7-hydroxyquinolin-3-yl)acetonitrile
CID 137194392
2-(5-bromo-2-methyl-3-pyridinyl)acetonitrile
CID 130153910
5-hydroxy-6-methylpyridine-3-carbaldehyde
CID 15619958
2-(3,4-dihydroxy-5-iodophenyl)acetonitrile
CID 15133322
5-[(Z)-hydroxyiminomethyl]-2-methylpyridin-3-ol
CID 143990802
2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile
CID 68939181
2-(4,6-dimethylpyrimidin-5-yl)acetonitrile
CID 84763015
ethane;2-methyl-5-(methylamino)pyridin-3-ol
CID 177223350
2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile
CID 165402934
2-(6-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile
CID 131870368

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-6-methyl-3-pyridinyl)acetonitrile?
The IUPAC name of 2-(5-hydroxy-6-methyl-3-pyridinyl)acetonitrile (CID 130786986) is 2-(5-hydroxy-6-methyl-3-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(5-hydroxy-6-methyl-3-pyridinyl)acetonitrile?
The canonical SMILES for 2-(5-hydroxy-6-methyl-3-pyridinyl)acetonitrile is Cc1ncc(CC#N)cc1O.
What is the InChIKey of 2-(5-hydroxy-6-methyl-3-pyridinyl)acetonitrile?
The InChIKey is TXMOQKDWJLSPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-6-8(11)4-7(2-3-9)5-10-6/h4-5,11H,2H2,1H3.
What are the key properties of 2-(5-hydroxy-6-methyl-3-pyridinyl)acetonitrile?
2-(5-hydroxy-6-methyl-3-pyridinyl)acetonitrile has a molecular weight of 148.16 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-6-methyl-3-pyridinyl)acetonitrile is sourced from PubChem (CID 130786986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).