2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile

C14H12ClN3 — CID 31585319

IUPAC2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
SMILESC[C@@H](Nc1ncccc1C#N)c1ccccc1Cl
InChIInChI=1S/C14H12ClN3/c1-10(12-6-2-3-7-13(12)15)18-14-11(9-16)5-4-8-17-14/h2-8,10H,1H3,(H,17,18)/t10-/m1/s1
InChIKeyMPWFHHVSXPQPNY-SNVBAGLBSA-N
MW257.72 g/mol
LogP3.78
Rot. Bonds3

About 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile

2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile (PubChem CID 31585319) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
PubChem CID31585319
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
SMILESC[C@@H](Nc1ncccc1C#N)c1ccccc1Cl
InChIInChI=1S/C14H12ClN3/c1-10(12-6-2-3-7-13(12)15)18-14-11(9-16)5-4-8-17-14/h2-8,10H,1H3,(H,17,18)/t10-/m1/s1
InChIKeyMPWFHHVSXPQPNY-SNVBAGLBSA-N
XLogP3.78
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-bromophenyl)ethylamino]pyridine-3-carbonitrile
CID 42927800
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 32572910
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93417245
2-[[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyridine-3-carbonitrile
CID 94006979
2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]pyridine-3-carbonitrile
CID 95980039
2-[1-(2-aminophenyl)ethylamino]-3-chloropyridine-4-carbonitrile
CID 107061450
2-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
CID 43372296
5-[1-(2-chlorophenyl)ethylamino]pyridine-2-carbonitrile
CID 79840053
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridine-3-carbonitrile
CID 42893054
2-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile
CID 51969093
2-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethylamino]pyridine-3-carbonitrile
CID 42956123
2-[[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]amino]pyridine-3-carbonitrile
CID 38744969

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile (CID 31585319) is 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile is C[C@@H](Nc1ncccc1C#N)c1ccccc1Cl.
What is the InChIKey of 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile?
The InChIKey is MPWFHHVSXPQPNY-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-10(12-6-2-3-7-13(12)15)18-14-11(9-16)5-4-8-17-14/h2-8,10H,1H3,(H,17,18)/t10-/m1/s1.
What are the key properties of 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile?
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile has a molecular weight of 257.72 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 31585319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).