5-methylpyridine-3-carbonitrile

C7H6N2 — CID 637838

IUPAC5-methylpyridine-3-carbonitrile
SMILESCc1cncc(C#N)c1
InChIInChI=1S/C7H6N2/c1-6-2-7(3-8)5-9-4-6/h2,4-5H,1H3
InChIKeyVDWQWOXVBXURMT-UHFFFAOYSA-N
MW118.14 g/mol
LogP1.26
Rot. Bonds

About 5-methylpyridine-3-carbonitrile

5-methylpyridine-3-carbonitrile (PubChem CID 637838) has the molecular formula C7H6N2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-methylpyridine-3-carbonitrile
PubChem CID637838
Molecular FormulaC7H6N2
Molecular Weight118.14 g/mol
Exact Mass118.05
IUPAC Name5-methylpyridine-3-carbonitrile
SMILESCc1cncc(C#N)c1
InChIInChI=1S/C7H6N2/c1-6-2-7(3-8)5-9-4-6/h2,4-5H,1H3
InChIKeyVDWQWOXVBXURMT-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 5-methylpyridine-3-carbonitrile?
The IUPAC name of 5-methylpyridine-3-carbonitrile (CID 637838) is 5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 5-methylpyridine-3-carbonitrile?
The canonical SMILES for 5-methylpyridine-3-carbonitrile is Cc1cncc(C#N)c1.
What is the InChIKey of 5-methylpyridine-3-carbonitrile?
The InChIKey is VDWQWOXVBXURMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2/c1-6-2-7(3-8)5-9-4-6/h2,4-5H,1H3.
What are the key properties of 5-methylpyridine-3-carbonitrile?
5-methylpyridine-3-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 5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 637838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).