4-methyl-2-pyridin-2-ylbenzonitrile

C13H10N2 — CID 82401081

IUPAC4-methyl-2-pyridin-2-ylbenzonitrile
SMILESCc1ccc(C#N)c(-c2ccccn2)c1
InChIInChI=1S/C13H10N2/c1-10-5-6-11(9-14)12(8-10)13-4-2-3-7-15-13/h2-8H,1H3
InChIKeyQABLZKNXUIVKRP-UHFFFAOYSA-N
MW194.24 g/mol
LogP2.93
Rot. Bonds1

About 4-methyl-2-pyridin-2-ylbenzonitrile

4-methyl-2-pyridin-2-ylbenzonitrile (PubChem CID 82401081) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-methyl-2-pyridin-2-ylbenzonitrile.

Molecular Properties

Compound Name4-methyl-2-pyridin-2-ylbenzonitrile
PubChem CID82401081
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name4-methyl-2-pyridin-2-ylbenzonitrile
SMILESCc1ccc(C#N)c(-c2ccccn2)c1
InChIInChI=1S/C13H10N2/c1-10-5-6-11(9-14)12(8-10)13-4-2-3-7-15-13/h2-8H,1H3
InChIKeyQABLZKNXUIVKRP-UHFFFAOYSA-N
XLogP2.93
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-2-ylbenzonitrile?
The IUPAC name of 4-methyl-2-pyridin-2-ylbenzonitrile (CID 82401081) is 4-methyl-2-pyridin-2-ylbenzonitrile.
What is the SMILES notation for 4-methyl-2-pyridin-2-ylbenzonitrile?
The canonical SMILES for 4-methyl-2-pyridin-2-ylbenzonitrile is Cc1ccc(C#N)c(-c2ccccn2)c1.
What is the InChIKey of 4-methyl-2-pyridin-2-ylbenzonitrile?
The InChIKey is QABLZKNXUIVKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-10-5-6-11(9-14)12(8-10)13-4-2-3-7-15-13/h2-8H,1H3.
What are the key properties of 4-methyl-2-pyridin-2-ylbenzonitrile?
4-methyl-2-pyridin-2-ylbenzonitrile has a molecular weight of 194.24 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-2-ylbenzonitrile is sourced from PubChem (CID 82401081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).