5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile

C13H6F4N2 — CID 25184445

IUPAC5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2ccc(C(F)(F)F)c(F)c2)cn1
InChIInChI=1S/C13H6F4N2/c14-12-5-8(2-4-11(12)13(15,16)17)9-1-3-10(6-18)19-7-9/h1-5,7H
InChIKeyZYFQOUVOZGABRO-UHFFFAOYSA-N
MW266.20 g/mol
LogP3.78
Rot. Bonds1

About 5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile

5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile (PubChem CID 25184445) has the molecular formula C13H6F4N2 and a molecular weight of 266.20 g/mol. Its IUPAC name is 5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
PubChem CID25184445
Molecular FormulaC13H6F4N2
Molecular Weight266.20 g/mol
Exact Mass266.05
IUPAC Name5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2ccc(C(F)(F)F)c(F)c2)cn1
InChIInChI=1S/C13H6F4N2/c14-12-5-8(2-4-11(12)13(15,16)17)9-1-3-10(6-18)19-7-9/h1-5,7H
InChIKeyZYFQOUVOZGABRO-UHFFFAOYSA-N
XLogP3.78
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
CID 25184446
2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene
CID 21026890
1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134623705
4-amino-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 118844697
5-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 59282961
5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 25184302
5-[[5-[3-methyl-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridine-2-carbonitrile
CID 167576295
4-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine
CID 107290360
4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyrimidin-2-amine
CID 107290505
5-(2,5-difluorophenoxy)pyridine-2-carbonitrile
CID 113320711
2-fluoro-4-[4-(sulfinatoamino)phenyl]-1-(trifluoromethyl)benzene
CID 69477389
4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586026

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile?
The IUPAC name of 5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile (CID 25184445) is 5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile is N#Cc1ccc(-c2ccc(C(F)(F)F)c(F)c2)cn1.
What is the InChIKey of 5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile?
The InChIKey is ZYFQOUVOZGABRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F4N2/c14-12-5-8(2-4-11(12)13(15,16)17)9-1-3-10(6-18)19-7-9/h1-5,7H.
What are the key properties of 5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile?
5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile has a molecular weight of 266.20 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 25184445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).