2-pyridin-2-yl-2-[3-(trifluoromethyl)anilino]acetonitrile

C14H10F3N3 — CID 101120853

IUPAC2-pyridin-2-yl-2-[3-(trifluoromethyl)anilino]acetonitrile
SMILESN#CC(Nc1cccc(C(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C14H10F3N3/c15-14(16,17)10-4-3-5-11(8-10)20-13(9-18)12-6-1-2-7-19-12/h1-8,13,20H
InChIKeyFJLLPMUSWKXLDP-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.78
Rot. Bonds3

About 2-pyridin-2-yl-2-[3-(trifluoromethyl)anilino]acetonitrile

2-pyridin-2-yl-2-[3-(trifluoromethyl)anilino]acetonitrile (PubChem CID 101120853) has the molecular formula C14H10F3N3 and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-pyridin-2-yl-2-[3-(trifluoromethyl)anilino]acetonitrile.

Molecular Properties

Compound Name2-pyridin-2-yl-2-[3-(trifluoromethyl)anilino]acetonitrile
PubChem CID101120853
Molecular FormulaC14H10F3N3
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name2-pyridin-2-yl-2-[3-(trifluoromethyl)anilino]acetonitrile
SMILESN#CC(Nc1cccc(C(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C14H10F3N3/c15-14(16,17)10-4-3-5-11(8-10)20-13(9-18)12-6-1-2-7-19-12/h1-8,13,20H
InChIKeyFJLLPMUSWKXLDP-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoroanilino)-2-[3-(trifluoromethyl)phenyl]acetonitrile
CID 60990310
N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)aniline
CID 43192853
N-methyl-1-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62600521
3-[3-(trifluoromethyl)anilino]pyrazine-2-carbonitrile
CID 62685374
N-[(3-methylphenyl)-pyridin-2-ylmethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133414669
6-N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717521
N-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline
CID 62698775
(2S)-2-phenyl-2-[4-(trifluoromethyl)anilino]acetonitrile
CID 6925354
1-pyridin-2-yl-2-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]ethanol
CID 167747087
N-[cyano(pyridin-2-yl)methyl]-3-fluorobenzamide
CID 82120265
N-[1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 64988572
3-bromo-N-(1-pyridin-2-ylethyl)aniline
CID 43194583

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-2-[3-(trifluoromethyl)anilino]acetonitrile?
The IUPAC name of 2-pyridin-2-yl-2-[3-(trifluoromethyl)anilino]acetonitrile (CID 101120853) is 2-pyridin-2-yl-2-[3-(trifluoromethyl)anilino]acetonitrile.
What is the SMILES notation for 2-pyridin-2-yl-2-[3-(trifluoromethyl)anilino]acetonitrile?
The canonical SMILES for 2-pyridin-2-yl-2-[3-(trifluoromethyl)anilino]acetonitrile is N#CC(Nc1cccc(C(F)(F)F)c1)c1ccccn1.
What is the InChIKey of 2-pyridin-2-yl-2-[3-(trifluoromethyl)anilino]acetonitrile?
The InChIKey is FJLLPMUSWKXLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3/c15-14(16,17)10-4-3-5-11(8-10)20-13(9-18)12-6-1-2-7-19-12/h1-8,13,20H.
What are the key properties of 2-pyridin-2-yl-2-[3-(trifluoromethyl)anilino]acetonitrile?
2-pyridin-2-yl-2-[3-(trifluoromethyl)anilino]acetonitrile has a molecular weight of 277.25 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-pyridin-2-yl-2-[3-(trifluoromethyl)anilino]acetonitrile is sourced from PubChem (CID 101120853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).