5-[[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-methylamino]pyridine-3-carbonitrile

C15H10F5N3 — CID 177189506

IUPAC5-[[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-methylamino]pyridine-3-carbonitrile
SMILESCN(c1cncc(C#N)c1)[C@H](c1ccc(F)c(F)c1)C(F)(F)F
InChIInChI=1S/C15H10F5N3/c1-23(11-4-9(6-21)7-22-8-11)14(15(18,19)20)10-2-3-12(16)13(17)5-10/h2-5,7-8,14H,1H3/t14-/m1/s1
InChIKeyQNAXSXMLZIPKEZ-CQSZACIVSA-N
MW327.26 g/mol
LogP3.97
Rot. Bonds3

About 5-[[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-methylamino]pyridine-3-carbonitrile

5-[[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-methylamino]pyridine-3-carbonitrile (PubChem CID 177189506) has the molecular formula C15H10F5N3 and a molecular weight of 327.26 g/mol. Its IUPAC name is 5-[[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-methylamino]pyridine-3-carbonitrile
PubChem CID177189506
Molecular FormulaC15H10F5N3
Molecular Weight327.26 g/mol
Exact Mass327.08
IUPAC Name5-[[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-methylamino]pyridine-3-carbonitrile
SMILESCN(c1cncc(C#N)c1)[C@H](c1ccc(F)c(F)c1)C(F)(F)F
InChIInChI=1S/C15H10F5N3/c1-23(11-4-9(6-21)7-22-8-11)14(15(18,19)20)10-2-3-12(16)13(17)5-10/h2-5,7-8,14H,1H3/t14-/m1/s1
InChIKeyQNAXSXMLZIPKEZ-CQSZACIVSA-N
XLogP3.97
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[methyl-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]sulfanylpyridine-3-carbonitrile
CID 168899060
5-[[methyl-[(1R)-2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethyl]amino]sulfonimidoyl]pyridine-3-carbonitrile
CID 177189362
5-[[ethyl-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]sulfonimidoyl]pyridine-3-carbonitrile
CID 177189346
5-cyano-N-methyl-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-sulfinamide
CID 177189328
5-[ethyl-[(1R)-2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethyl]amino]sulfanylpyridine-3-carbonitrile
CID 177189572
5-cyano-N-ethyl-N-[2,2,2-trifluoro-1-(3-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 168898967
5-cyano-N-ethyl-N-[2,2,2-trifluoro-1-(3-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 168898921
5-[2-(3-cyano-4-fluorophenyl)ethynyl]pyridine-3-carbonitrile
CID 67047632
5-sulfanylpyridine-3-carbonitrile;(1R)-2,2,2-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 177189407
6-(3,4-difluorophenyl)pyridine-3-carbonitrile
CID 82113723
5-[1-amino-3-(4-chlorophenyl)butan-2-yl]pyridine-3-carbonitrile;hydrochloride
CID 69145462
5-[ethyl-[1-[4-(trifluoromethyl)phenyl]ethyl]amino]sulfanylpyridine-3-carbonitrile
CID 177189552

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-methylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-[[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-methylamino]pyridine-3-carbonitrile (CID 177189506) is 5-[[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-[[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-methylamino]pyridine-3-carbonitrile is CN(c1cncc(C#N)c1)[C@H](c1ccc(F)c(F)c1)C(F)(F)F.
What is the InChIKey of 5-[[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-methylamino]pyridine-3-carbonitrile?
The InChIKey is QNAXSXMLZIPKEZ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H10F5N3/c1-23(11-4-9(6-21)7-22-8-11)14(15(18,19)20)10-2-3-12(16)13(17)5-10/h2-5,7-8,14H,1H3/t14-/m1/s1.
What are the key properties of 5-[[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-methylamino]pyridine-3-carbonitrile?
5-[[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-methylamino]pyridine-3-carbonitrile has a molecular weight of 327.26 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 177189506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).