3-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-2-carbonitrile

C12H14ClN3 — CID 127430193

IUPAC3-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-2-carbonitrile
SMILESCC1CCN(c2ccc(Cl)c(C#N)n2)C1C
InChIInChI=1S/C12H14ClN3/c1-8-5-6-16(9(8)2)12-4-3-10(13)11(7-14)15-12/h3-4,8-9H,5-6H2,1-2H3
InChIKeyGRALICWWSJUFSO-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.84
Rot. Bonds1

About 3-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-2-carbonitrile

3-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-2-carbonitrile (PubChem CID 127430193) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 3-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-2-carbonitrile
PubChem CID127430193
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name3-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-2-carbonitrile
SMILESCC1CCN(c2ccc(Cl)c(C#N)n2)C1C
InChIInChI=1S/C12H14ClN3/c1-8-5-6-16(9(8)2)12-4-3-10(13)11(7-14)15-12/h3-4,8-9H,5-6H2,1-2H3
InChIKeyGRALICWWSJUFSO-UHFFFAOYSA-N
XLogP2.84
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-6-cyano-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 133331252
1-(5-chloro-6-cyano-2-pyridinyl)piperidine-4-carboxylic acid
CID 122047509
3-chloro-6-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile
CID 133323340
3-chloro-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 133458797
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-chloropyridine-2-carbonitrile
CID 133305732
3-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 133282877
methyl 2-[4-(5-chloro-6-cyano-2-pyridinyl)piperazin-1-yl]acetate
CID 133333896
6-[4-(5-aminopyrazolidin-3-yl)piperidin-1-yl]-3-chloropyridine-2-carbonitrile
CID 134068462
3-chloro-6-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile
CID 56584074
3-chloro-6-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carbonitrile
CID 125130905
3-chloro-6-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carbonitrile
CID 133322524
6-(3-anilinopiperidin-1-yl)-3-chloropyridine-2-carbonitrile
CID 133363190

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-2-carbonitrile (CID 127430193) is 3-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-2-carbonitrile is CC1CCN(c2ccc(Cl)c(C#N)n2)C1C.
What is the InChIKey of 3-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-2-carbonitrile?
The InChIKey is GRALICWWSJUFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-8-5-6-16(9(8)2)12-4-3-10(13)11(7-14)15-12/h3-4,8-9H,5-6H2,1-2H3.
What are the key properties of 3-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-2-carbonitrile?
3-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-2-carbonitrile has a molecular weight of 235.72 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 127430193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).