2-methylpyridine-4-carbonitrile

C7H6N2 — CID 11959073

IUPAC2-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)ccn1
InChIInChI=1S/C7H6N2/c1-6-4-7(5-8)2-3-9-6/h2-4H,1H3
InChIKeySBWJLHPCEHEABR-UHFFFAOYSA-N
MW118.14 g/mol
LogP1.26
Rot. Bonds

About 2-methylpyridine-4-carbonitrile

2-methylpyridine-4-carbonitrile (PubChem CID 11959073) has the molecular formula C7H6N2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 2-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-methylpyridine-4-carbonitrile
PubChem CID11959073
Molecular FormulaC7H6N2
Molecular Weight118.14 g/mol
Exact Mass118.05
IUPAC Name2-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)ccn1
InChIInChI=1S/C7H6N2/c1-6-4-7(5-8)2-3-9-6/h2-4H,1H3
InChIKeySBWJLHPCEHEABR-UHFFFAOYSA-N
XLogP1.26
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpyridine-4-carbonitrile?
The IUPAC name of 2-methylpyridine-4-carbonitrile (CID 11959073) 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.
What is the InChIKey of 2-methylpyridine-4-carbonitrile?
The InChIKey is SBWJLHPCEHEABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2/c1-6-4-7(5-8)2-3-9-6/h2-4H,1H3.
What are the key properties of 2-methylpyridine-4-carbonitrile?
2-methylpyridine-4-carbonitrile has a molecular weight of 118.14 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyridine-4-carbonitrile is sourced from PubChem (CID 11959073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).