2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile

C11H13N3 — CID 130547075

IUPAC2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCC2)n1
InChIInChI=1S/C11H13N3/c1-8-6-9(2)13-11(10(8)7-12)14-4-3-5-14/h6H,3-5H2,1-2H3
InChIKeyDFCYHIMBCKUSES-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.78
Rot. Bonds1

About 2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile

2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 130547075) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID130547075
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCC2)n1
InChIInChI=1S/C11H13N3/c1-8-6-9(2)13-11(10(8)7-12)14-4-3-5-14/h6H,3-5H2,1-2H3
InChIKeyDFCYHIMBCKUSES-UHFFFAOYSA-N
XLogP1.78
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile (CID 130547075) is 2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2CCC2)n1.
What is the InChIKey of 2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is DFCYHIMBCKUSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-8-6-9(2)13-11(10(8)7-12)14-4-3-5-14/h6H,3-5H2,1-2H3.
What are the key properties of 2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 187.25 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 130547075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).