2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]pyridine-3-carbonitrile

C14H11F2N3 — CID 32572910

IUPAC2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]pyridine-3-carbonitrile
SMILESC[C@@H](Nc1ncccc1C#N)c1ccc(F)cc1F
InChIInChI=1S/C14H11F2N3/c1-9(12-5-4-11(15)7-13(12)16)19-14-10(8-17)3-2-6-18-14/h2-7,9H,1H3,(H,18,19)/t9-/m1/s1
InChIKeyYLTWIRQCZIUVHM-SECBINFHSA-N
MW259.26 g/mol
LogP3.40
Rot. Bonds3

About 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]pyridine-3-carbonitrile

2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]pyridine-3-carbonitrile (PubChem CID 32572910) has the molecular formula C14H11F2N3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]pyridine-3-carbonitrile
PubChem CID32572910
Molecular FormulaC14H11F2N3
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC Name2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]pyridine-3-carbonitrile
SMILESC[C@@H](Nc1ncccc1C#N)c1ccc(F)cc1F
InChIInChI=1S/C14H11F2N3/c1-9(12-5-4-11(15)7-13(12)16)19-14-10(8-17)3-2-6-18-14/h2-7,9H,1H3,(H,18,19)/t9-/m1/s1
InChIKeyYLTWIRQCZIUVHM-SECBINFHSA-N
XLogP3.40
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 31585319
2-[1-(2-bromophenyl)ethylamino]pyridine-3-carbonitrile
CID 42927800
2-[[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyridine-3-carbonitrile
CID 94006979
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93417245
4-[1-(2,4-difluorophenyl)ethylamino]pyrimidine-2-carbonitrile
CID 91320280
2-chloro-5-[1-(2,4-difluorophenyl)ethylamino]benzonitrile
CID 43686866
2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]pyridine-3-carbonitrile
CID 95980039
N-[1-(2,4-difluorophenyl)ethyl]quinolin-8-amine
CID 43191671
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridine-3-carbonitrile
CID 42893054
4-[1-(2,4-difluorophenyl)ethylamino]-2-(trifluoromethyl)benzonitrile
CID 56583939
2-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
CID 43372296
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-(2,4-difluorophenyl)ethyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]pyridine-3-carbonitrile (CID 32572910) is 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]pyridine-3-carbonitrile is C[C@@H](Nc1ncccc1C#N)c1ccc(F)cc1F.
What is the InChIKey of 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]pyridine-3-carbonitrile?
The InChIKey is YLTWIRQCZIUVHM-SECBINFHSA-N. The full InChI is InChI=1S/C14H11F2N3/c1-9(12-5-4-11(15)7-13(12)16)19-14-10(8-17)3-2-6-18-14/h2-7,9H,1H3,(H,18,19)/t9-/m1/s1.
What are the key properties of 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]pyridine-3-carbonitrile?
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]pyridine-3-carbonitrile has a molecular weight of 259.26 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 32572910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).