2-[2-(2-methylphenyl)-3-pyridinyl]acetonitrile

C14H12N2 — CID 117001881

IUPAC2-[2-(2-methylphenyl)-3-pyridinyl]acetonitrile
SMILESCc1ccccc1-c1ncccc1CC#N
InChIInChI=1S/C14H12N2/c1-11-5-2-3-7-13(11)14-12(8-9-15)6-4-10-16-14/h2-7,10H,8H2,1H3
InChIKeyNDSNPUDPZSLQEH-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.12
Rot. Bonds2

About 2-[2-(2-methylphenyl)-3-pyridinyl]acetonitrile

2-[2-(2-methylphenyl)-3-pyridinyl]acetonitrile (PubChem CID 117001881) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[2-(2-methylphenyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(2-methylphenyl)-3-pyridinyl]acetonitrile
PubChem CID117001881
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name2-[2-(2-methylphenyl)-3-pyridinyl]acetonitrile
SMILESCc1ccccc1-c1ncccc1CC#N
InChIInChI=1S/C14H12N2/c1-11-5-2-3-7-13(11)14-12(8-9-15)6-4-10-16-14/h2-7,10H,8H2,1H3
InChIKeyNDSNPUDPZSLQEH-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-(2-methylphenyl)-3-pyridinyl]acetonitrile (CID 117001881) is 2-[2-(2-methylphenyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-(2-methylphenyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-(2-methylphenyl)-3-pyridinyl]acetonitrile is Cc1ccccc1-c1ncccc1CC#N.
What is the InChIKey of 2-[2-(2-methylphenyl)-3-pyridinyl]acetonitrile?
The InChIKey is NDSNPUDPZSLQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-11-5-2-3-7-13(11)14-12(8-9-15)6-4-10-16-14/h2-7,10H,8H2,1H3.
What are the key properties of 2-[2-(2-methylphenyl)-3-pyridinyl]acetonitrile?
2-[2-(2-methylphenyl)-3-pyridinyl]acetonitrile has a molecular weight of 208.26 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 117001881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).