3-(6-methyl-2-pyridinyl)-2-phenylpropanenitrile

C15H14N2 — CID 613685

IUPAC3-(6-methyl-2-pyridinyl)-2-phenylpropanenitrile
SMILESCc1cccc(CC(C#N)c2ccccc2)n1
InChIInChI=1S/C15H14N2/c1-12-6-5-9-15(17-12)10-14(11-16)13-7-3-2-4-8-13/h2-9,14H,10H2,1H3
InChIKeyWBYMUTJTDBJJER-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.24
Rot. Bonds3

About 3-(6-methyl-2-pyridinyl)-2-phenylpropanenitrile

3-(6-methyl-2-pyridinyl)-2-phenylpropanenitrile (PubChem CID 613685) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(6-methyl-2-pyridinyl)-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-(6-methyl-2-pyridinyl)-2-phenylpropanenitrile
PubChem CID613685
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name3-(6-methyl-2-pyridinyl)-2-phenylpropanenitrile
SMILESCc1cccc(CC(C#N)c2ccccc2)n1
InChIInChI=1S/C15H14N2/c1-12-6-5-9-15(17-12)10-14(11-16)13-7-3-2-4-8-13/h2-9,14H,10H2,1H3
InChIKeyWBYMUTJTDBJJER-UHFFFAOYSA-N
XLogP3.24
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2-pyridinyl)-2-phenylpropanenitrile?
The IUPAC name of 3-(6-methyl-2-pyridinyl)-2-phenylpropanenitrile (CID 613685) is 3-(6-methyl-2-pyridinyl)-2-phenylpropanenitrile.
What is the SMILES notation for 3-(6-methyl-2-pyridinyl)-2-phenylpropanenitrile?
The canonical SMILES for 3-(6-methyl-2-pyridinyl)-2-phenylpropanenitrile is Cc1cccc(CC(C#N)c2ccccc2)n1.
What is the InChIKey of 3-(6-methyl-2-pyridinyl)-2-phenylpropanenitrile?
The InChIKey is WBYMUTJTDBJJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-12-6-5-9-15(17-12)10-14(11-16)13-7-3-2-4-8-13/h2-9,14H,10H2,1H3.
What are the key properties of 3-(6-methyl-2-pyridinyl)-2-phenylpropanenitrile?
3-(6-methyl-2-pyridinyl)-2-phenylpropanenitrile has a molecular weight of 222.29 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2-pyridinyl)-2-phenylpropanenitrile is sourced from PubChem (CID 613685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).