6-(2-methylimidazol-1-yl)pyridine-2-carbonitrile

C10H8N4 — CID 64587826

IUPAC6-(2-methylimidazol-1-yl)pyridine-2-carbonitrile
SMILESCc1nccn1-c1cccc(C#N)n1
InChIInChI=1S/C10H8N4/c1-8-12-5-6-14(8)10-4-2-3-9(7-11)13-10/h2-6H,1H3
InChIKeyIUJZQUFJWGOAOW-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.45
Rot. Bonds1

About 6-(2-methylimidazol-1-yl)pyridine-2-carbonitrile

6-(2-methylimidazol-1-yl)pyridine-2-carbonitrile (PubChem CID 64587826) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 6-(2-methylimidazol-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(2-methylimidazol-1-yl)pyridine-2-carbonitrile
PubChem CID64587826
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name6-(2-methylimidazol-1-yl)pyridine-2-carbonitrile
SMILESCc1nccn1-c1cccc(C#N)n1
InChIInChI=1S/C10H8N4/c1-8-12-5-6-14(8)10-4-2-3-9(7-11)13-10/h2-6H,1H3
InChIKeyIUJZQUFJWGOAOW-UHFFFAOYSA-N
XLogP1.45
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylimidazol-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 6-(2-methylimidazol-1-yl)pyridine-2-carbonitrile (CID 64587826) is 6-(2-methylimidazol-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(2-methylimidazol-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(2-methylimidazol-1-yl)pyridine-2-carbonitrile is Cc1nccn1-c1cccc(C#N)n1.
What is the InChIKey of 6-(2-methylimidazol-1-yl)pyridine-2-carbonitrile?
The InChIKey is IUJZQUFJWGOAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c1-8-12-5-6-14(8)10-4-2-3-9(7-11)13-10/h2-6H,1H3.
What are the key properties of 6-(2-methylimidazol-1-yl)pyridine-2-carbonitrile?
6-(2-methylimidazol-1-yl)pyridine-2-carbonitrile has a molecular weight of 184.20 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylimidazol-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 64587826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).