2-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

C13H7F3N2 — CID 133097394

IUPAC2-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)ccnc1-c1ccccc1
InChIInChI=1S/C13H7F3N2/c14-13(15,16)11-6-7-18-12(10(11)8-17)9-4-2-1-3-5-9/h1-7H
InChIKeyOQLAUQQWAZQPAW-UHFFFAOYSA-N
MW248.21 g/mol
LogP3.64
Rot. Bonds1

About 2-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

2-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 133097394) has the molecular formula C13H7F3N2 and a molecular weight of 248.21 g/mol. Its IUPAC name is 2-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID133097394
Molecular FormulaC13H7F3N2
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name2-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)ccnc1-c1ccccc1
InChIInChI=1S/C13H7F3N2/c14-13(15,16)11-6-7-18-12(10(11)8-17)9-4-2-1-3-5-9/h1-7H
InChIKeyOQLAUQQWAZQPAW-UHFFFAOYSA-N
XLogP3.64
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 11159730
2-bromo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 118992419
1,2-diphenyl-4-(trifluoromethyl)pyrrole-3-carbonitrile
CID 140991511
2-phenyl-4-(trifluoromethyl)furan-3-carbonitrile
CID 12009333
3-methyl-2,6-diphenyl-5-(trifluoromethyl)benzonitrile
CID 89254564
6-(4-chlorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 10618480
[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]cyanamide
CID 10913190
2-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 46314749
2-(hydroxymethyl)-4-phenylpyridine-3-carbonitrile
CID 70704184
3,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 162610621
2-pyridin-2-yl-3,4-bis(trifluoromethyl)pyridine
CID 23443905
2-chloro-6-(trifluoromethyl)benzonitrile
CID 10867457

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 133097394) is 2-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)ccnc1-c1ccccc1.
What is the InChIKey of 2-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is OQLAUQQWAZQPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2/c14-13(15,16)11-6-7-18-12(10(11)8-17)9-4-2-1-3-5-9/h1-7H.
What are the key properties of 2-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 248.21 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 133097394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).