3-(2-cyclopropyl-6-methyl-4-pyridinyl)benzonitrile

C16H14N2 — CID 22317642

IUPAC3-(2-cyclopropyl-6-methyl-4-pyridinyl)benzonitrile
SMILESCc1cc(-c2cccc(C#N)c2)cc(C2CC2)n1
InChIInChI=1S/C16H14N2/c1-11-7-15(9-16(18-11)13-5-6-13)14-4-2-3-12(8-14)10-17/h2-4,7-9,13H,5-6H2,1H3
InChIKeyDUJMAOVDRZOHGE-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.81
Rot. Bonds2

About 3-(2-cyclopropyl-6-methyl-4-pyridinyl)benzonitrile

3-(2-cyclopropyl-6-methyl-4-pyridinyl)benzonitrile (PubChem CID 22317642) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(2-cyclopropyl-6-methyl-4-pyridinyl)benzonitrile.

Molecular Properties

Compound Name3-(2-cyclopropyl-6-methyl-4-pyridinyl)benzonitrile
PubChem CID22317642
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name3-(2-cyclopropyl-6-methyl-4-pyridinyl)benzonitrile
SMILESCc1cc(-c2cccc(C#N)c2)cc(C2CC2)n1
InChIInChI=1S/C16H14N2/c1-11-7-15(9-16(18-11)13-5-6-13)14-4-2-3-12(8-14)10-17/h2-4,7-9,13H,5-6H2,1H3
InChIKeyDUJMAOVDRZOHGE-UHFFFAOYSA-N
XLogP3.81
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyl-6-methyl-4-pyridinyl)benzonitrile?
The IUPAC name of 3-(2-cyclopropyl-6-methyl-4-pyridinyl)benzonitrile (CID 22317642) is 3-(2-cyclopropyl-6-methyl-4-pyridinyl)benzonitrile.
What is the SMILES notation for 3-(2-cyclopropyl-6-methyl-4-pyridinyl)benzonitrile?
The canonical SMILES for 3-(2-cyclopropyl-6-methyl-4-pyridinyl)benzonitrile is Cc1cc(-c2cccc(C#N)c2)cc(C2CC2)n1.
What is the InChIKey of 3-(2-cyclopropyl-6-methyl-4-pyridinyl)benzonitrile?
The InChIKey is DUJMAOVDRZOHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-11-7-15(9-16(18-11)13-5-6-13)14-4-2-3-12(8-14)10-17/h2-4,7-9,13H,5-6H2,1H3.
What are the key properties of 3-(2-cyclopropyl-6-methyl-4-pyridinyl)benzonitrile?
3-(2-cyclopropyl-6-methyl-4-pyridinyl)benzonitrile has a molecular weight of 234.30 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyl-6-methyl-4-pyridinyl)benzonitrile is sourced from PubChem (CID 22317642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).