4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile

C8H8N2O — CID 59184865

IUPAC4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile
SMILESCc1cc(CO)cc(C#N)n1
InChIInChI=1S/C8H8N2O/c1-6-2-7(5-11)3-8(4-9)10-6/h2-3,11H,5H2,1H3
InChIKeyAAHOCHRAAVKOEE-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.75
Rot. Bonds1

About 4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile

4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile (PubChem CID 59184865) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile
PubChem CID59184865
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile
SMILESCc1cc(CO)cc(C#N)n1
InChIInChI=1S/C8H8N2O/c1-6-2-7(5-11)3-8(4-9)10-6/h2-3,11H,5H2,1H3
InChIKeyAAHOCHRAAVKOEE-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyanomethyl)-6-methylpyridine-2-carbonitrile
CID 170102292
(2-cyano-6-methyl-4-pyridinyl)methyl methanesulfonate
CID 170993472
4-iodo-6-methylpyridine-2-carbonitrile
CID 46835594
6-methyl-4-methylsulfanylpyridine-2-carbonitrile
CID 131115286
4-(cyanomethyl)pyridine-2,6-dicarbonitrile
CID 166913297
6-methyl-4-phenylmethoxypyridine-2-carbonitrile
CID 130671911
2-[3-(hydroxymethyl)pentan-3-ylamino]-6-methylpyrimidine-4-carbonitrile
CID 107552017
6-methyl-2-propan-2-ylpyrimidine-4-carbonitrile
CID 166590118
4-(difluoromethyl)-5-(hydroxymethyl)-6-methylpyridine-2-carbonitrile
CID 130078307
4-(butylamino)-6-methylpyridine-2-carbonitrile
CID 130678948
(8-fluoro-2,4-dimethylquinolin-6-yl)methanol
CID 82576373
6-(hydroxymethyl)-3-methylquinoline-8-carbonitrile
CID 118665171

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile?
The IUPAC name of 4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile (CID 59184865) is 4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile.
What is the SMILES notation for 4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile?
The canonical SMILES for 4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile is Cc1cc(CO)cc(C#N)n1.
What is the InChIKey of 4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile?
The InChIKey is AAHOCHRAAVKOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-6-2-7(5-11)3-8(4-9)10-6/h2-3,11H,5H2,1H3.
What are the key properties of 4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile?
4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile has a molecular weight of 148.16 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile is sourced from PubChem (CID 59184865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).