4-[(5-methyl-2-pyridinyl)methyl]benzonitrile

C14H12N2 — CID 166687753

IUPAC4-[(5-methyl-2-pyridinyl)methyl]benzonitrile
SMILESCc1ccc(Cc2ccc(C#N)cc2)nc1
InChIInChI=1S/C14H12N2/c1-11-2-7-14(16-10-11)8-12-3-5-13(9-15)6-4-12/h2-7,10H,8H2,1H3
InChIKeyZGPQJLVGKKUVAT-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.85
Rot. Bonds2

About 4-[(5-methyl-2-pyridinyl)methyl]benzonitrile

4-[(5-methyl-2-pyridinyl)methyl]benzonitrile (PubChem CID 166687753) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-[(5-methyl-2-pyridinyl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(5-methyl-2-pyridinyl)methyl]benzonitrile
PubChem CID166687753
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name4-[(5-methyl-2-pyridinyl)methyl]benzonitrile
SMILESCc1ccc(Cc2ccc(C#N)cc2)nc1
InChIInChI=1S/C14H12N2/c1-11-2-7-14(16-10-11)8-12-3-5-13(9-15)6-4-12/h2-7,10H,8H2,1H3
InChIKeyZGPQJLVGKKUVAT-UHFFFAOYSA-N
XLogP2.85
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-2-pyridinyl)methyl]benzonitrile?
The IUPAC name of 4-[(5-methyl-2-pyridinyl)methyl]benzonitrile (CID 166687753) is 4-[(5-methyl-2-pyridinyl)methyl]benzonitrile.
What is the SMILES notation for 4-[(5-methyl-2-pyridinyl)methyl]benzonitrile?
The canonical SMILES for 4-[(5-methyl-2-pyridinyl)methyl]benzonitrile is Cc1ccc(Cc2ccc(C#N)cc2)nc1.
What is the InChIKey of 4-[(5-methyl-2-pyridinyl)methyl]benzonitrile?
The InChIKey is ZGPQJLVGKKUVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-11-2-7-14(16-10-11)8-12-3-5-13(9-15)6-4-12/h2-7,10H,8H2,1H3.
What are the key properties of 4-[(5-methyl-2-pyridinyl)methyl]benzonitrile?
4-[(5-methyl-2-pyridinyl)methyl]benzonitrile has a molecular weight of 208.26 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-2-pyridinyl)methyl]benzonitrile is sourced from PubChem (CID 166687753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).