2-methylpyridine-4-carbonitrile

C14H12N4 — CID 118703758

IUPAC2-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)ccn1.Cc1cc(C#N)ccn1
InChIInChI=1S/2C7H6N2/c2*1-6-4-7(5-8)2-3-9-6/h2*2-4H,1H3
InChIKeyJPLHXYGCHVWVAI-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.52
Rot. Bonds

About 2-methylpyridine-4-carbonitrile

2-methylpyridine-4-carbonitrile (PubChem CID 118703758) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-methylpyridine-4-carbonitrile
PubChem CID118703758
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name2-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)ccn1.Cc1cc(C#N)ccn1
InChIInChI=1S/2C7H6N2/c2*1-6-4-7(5-8)2-3-9-6/h2*2-4H,1H3
InChIKeyJPLHXYGCHVWVAI-UHFFFAOYSA-N
XLogP2.52
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-methylpyridine;2-methylpyridine-4-carbonitrile
CID 160905410
2-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile
CID 62487252
sodium;4-cyanopyridine-2-sulfonic acid;hydride
CID 173157024
2-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-4-carbonitrile
CID 79106792
2-(1-chloroethyl)pyridine-4-carbonitrile
CID 72583051
2-(3-methylphenyl)pyridine-4-carbonitrile
CID 102306874
2-(3-methylbutan-2-ylamino)pyridine-4-carbonitrile
CID 43131440
4-[[methyl-(2-methyl-4-pyridinyl)amino]methyl]benzonitrile
CID 133489486
2-(difluoromethyl)pyridine-4-carbonitrile
CID 75406284
2-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile
CID 63926299
N-(3-cyanophenyl)-N,2-dimethylpyridine-4-carboxamide
CID 106752946
2-methyl-4-(2-triphenylen-2-ylethynyl)pyridine
CID 126725876

Frequently Asked Questions

What is the IUPAC name of 2-methylpyridine-4-carbonitrile?
The IUPAC name of 2-methylpyridine-4-carbonitrile (CID 118703758) is 2-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-methylpyridine-4-carbonitrile is Cc1cc(C#N)ccn1.Cc1cc(C#N)ccn1.
What is the InChIKey of 2-methylpyridine-4-carbonitrile?
The InChIKey is JPLHXYGCHVWVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6N2/c2*1-6-4-7(5-8)2-3-9-6/h2*2-4H,1H3.
What are the key properties of 2-methylpyridine-4-carbonitrile?
2-methylpyridine-4-carbonitrile has a molecular weight of 236.28 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyridine-4-carbonitrile is sourced from PubChem (CID 118703758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).