3,4-dimethylpyridine-2-carbonitrile

C8H8N2 — CID 23003409

IUPAC3,4-dimethylpyridine-2-carbonitrile
SMILESCc1ccnc(C#N)c1C
InChIInChI=1S/C8H8N2/c1-6-3-4-10-8(5-9)7(6)2/h3-4H,1-2H3
InChIKeyOPNUUWMXUITYNB-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.57
Rot. Bonds

About 3,4-dimethylpyridine-2-carbonitrile

3,4-dimethylpyridine-2-carbonitrile (PubChem CID 23003409) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 3,4-dimethylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3,4-dimethylpyridine-2-carbonitrile
PubChem CID23003409
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name3,4-dimethylpyridine-2-carbonitrile
SMILESCc1ccnc(C#N)c1C
InChIInChI=1S/C8H8N2/c1-6-3-4-10-8(5-9)7(6)2/h3-4H,1-2H3
InChIKeyOPNUUWMXUITYNB-UHFFFAOYSA-N
XLogP1.57
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpyridine-2-carbonitrile?
The IUPAC name of 3,4-dimethylpyridine-2-carbonitrile (CID 23003409) is 3,4-dimethylpyridine-2-carbonitrile.
What is the SMILES notation for 3,4-dimethylpyridine-2-carbonitrile?
The canonical SMILES for 3,4-dimethylpyridine-2-carbonitrile is Cc1ccnc(C#N)c1C.
What is the InChIKey of 3,4-dimethylpyridine-2-carbonitrile?
The InChIKey is OPNUUWMXUITYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-6-3-4-10-8(5-9)7(6)2/h3-4H,1-2H3.
What are the key properties of 3,4-dimethylpyridine-2-carbonitrile?
3,4-dimethylpyridine-2-carbonitrile has a molecular weight of 132.17 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpyridine-2-carbonitrile is sourced from PubChem (CID 23003409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).