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

C9H10N2 — CID 14687222

IUPAC3-(6-methyl-2-pyridinyl)propanenitrile
SMILESCc1cccc(CCC#N)n1
InChIInChI=1S/C9H10N2/c1-8-4-2-5-9(11-8)6-3-7-10/h2,4-5H,3,6H2,1H3
InChIKeyHNRKKMZAPVPPMK-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.85
Rot. Bonds2

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

3-(6-methyl-2-pyridinyl)propanenitrile (PubChem CID 14687222) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-(6-methyl-2-pyridinyl)propanenitrile.

Molecular Properties

Compound Name3-(6-methyl-2-pyridinyl)propanenitrile
PubChem CID14687222
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name3-(6-methyl-2-pyridinyl)propanenitrile
SMILESCc1cccc(CCC#N)n1
InChIInChI=1S/C9H10N2/c1-8-4-2-5-9(11-8)6-3-7-10/h2,4-5H,3,6H2,1H3
InChIKeyHNRKKMZAPVPPMK-UHFFFAOYSA-N
XLogP1.85
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.85
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)propanenitrile?
The IUPAC name of 3-(6-methyl-2-pyridinyl)propanenitrile (CID 14687222) is 3-(6-methyl-2-pyridinyl)propanenitrile.
What is the SMILES notation for 3-(6-methyl-2-pyridinyl)propanenitrile?
The canonical SMILES for 3-(6-methyl-2-pyridinyl)propanenitrile is Cc1cccc(CCC#N)n1.
What is the InChIKey of 3-(6-methyl-2-pyridinyl)propanenitrile?
The InChIKey is HNRKKMZAPVPPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-8-4-2-5-9(11-8)6-3-7-10/h2,4-5H,3,6H2,1H3.
What are the key properties of 3-(6-methyl-2-pyridinyl)propanenitrile?
3-(6-methyl-2-pyridinyl)propanenitrile has a molecular weight of 146.19 g/mol, XLogP of 1.85, 2 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)propanenitrile is sourced from PubChem (CID 14687222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).