6-[3-(2,2,2-trifluoroethyl)anilino]pyridine-2-carbonitrile

C14H10F3N3 — CID 133392722

IUPAC6-[3-(2,2,2-trifluoroethyl)anilino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(Nc2cccc(CC(F)(F)F)c2)n1
InChIInChI=1S/C14H10F3N3/c15-14(16,17)8-10-3-1-4-11(7-10)19-13-6-2-5-12(9-18)20-13/h1-7H,8H2,(H,19,20)
InChIKeyJRNVXOYHDMODSM-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.80
Rot. Bonds3

About 6-[3-(2,2,2-trifluoroethyl)anilino]pyridine-2-carbonitrile

6-[3-(2,2,2-trifluoroethyl)anilino]pyridine-2-carbonitrile (PubChem CID 133392722) has the molecular formula C14H10F3N3 and a molecular weight of 277.25 g/mol. Its IUPAC name is 6-[3-(2,2,2-trifluoroethyl)anilino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[3-(2,2,2-trifluoroethyl)anilino]pyridine-2-carbonitrile
PubChem CID133392722
Molecular FormulaC14H10F3N3
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name6-[3-(2,2,2-trifluoroethyl)anilino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(Nc2cccc(CC(F)(F)F)c2)n1
InChIInChI=1S/C14H10F3N3/c15-14(16,17)8-10-3-1-4-11(7-10)19-13-6-2-5-12(9-18)20-13/h1-7H,8H2,(H,19,20)
InChIKeyJRNVXOYHDMODSM-UHFFFAOYSA-N
XLogP3.80
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-(ethylsulfanylmethyl)anilino]pyridine-2-carbonitrile
CID 133392674
methyl 2-[3-[(6-cyano-2-pyridinyl)amino]phenyl]acetate
CID 133416630
6-[4-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile
CID 133391829
6-(3,5-difluoroanilino)pyridine-2-carbonitrile
CID 64595862
6-(4-tert-butylanilino)pyridine-2-carbonitrile
CID 64588460
3-[(6-cyano-2-pyridinyl)amino]benzamide
CID 107811342
6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-2-carbonitrile
CID 133392430
6-(pyrimidin-5-ylamino)pyridine-2-carbonitrile
CID 107588709
6-(4-methylanilino)pyridine-2-carbonitrile
CID 64593514
6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile
CID 114257431
6-(3-piperidin-1-ylanilino)pyridine-2-carbonitrile
CID 133392213
6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 64590042

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,2,2-trifluoroethyl)anilino]pyridine-2-carbonitrile?
The IUPAC name of 6-[3-(2,2,2-trifluoroethyl)anilino]pyridine-2-carbonitrile (CID 133392722) is 6-[3-(2,2,2-trifluoroethyl)anilino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[3-(2,2,2-trifluoroethyl)anilino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[3-(2,2,2-trifluoroethyl)anilino]pyridine-2-carbonitrile is N#Cc1cccc(Nc2cccc(CC(F)(F)F)c2)n1.
What is the InChIKey of 6-[3-(2,2,2-trifluoroethyl)anilino]pyridine-2-carbonitrile?
The InChIKey is JRNVXOYHDMODSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3/c15-14(16,17)8-10-3-1-4-11(7-10)19-13-6-2-5-12(9-18)20-13/h1-7H,8H2,(H,19,20).
What are the key properties of 6-[3-(2,2,2-trifluoroethyl)anilino]pyridine-2-carbonitrile?
6-[3-(2,2,2-trifluoroethyl)anilino]pyridine-2-carbonitrile has a molecular weight of 277.25 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,2,2-trifluoroethyl)anilino]pyridine-2-carbonitrile is sourced from PubChem (CID 133392722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).