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

C13H6ClF3N2 — CID 25184446

IUPAC5-[3-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2ccc(C(F)(F)F)c(Cl)c2)cn1
InChIInChI=1S/C13H6ClF3N2/c14-12-5-8(2-4-11(12)13(15,16)17)9-1-3-10(6-18)19-7-9/h1-5,7H
InChIKeySXEHNKDHVNODSZ-UHFFFAOYSA-N
MW282.65 g/mol
LogP4.29
Rot. Bonds1

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

5-[3-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile (PubChem CID 25184446) has the molecular formula C13H6ClF3N2 and a molecular weight of 282.65 g/mol. Its IUPAC name is 5-[3-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
PubChem CID25184446
Molecular FormulaC13H6ClF3N2
Molecular Weight282.65 g/mol
Exact Mass282.02
IUPAC Name5-[3-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2ccc(C(F)(F)F)c(Cl)c2)cn1
InChIInChI=1S/C13H6ClF3N2/c14-12-5-8(2-4-11(12)13(15,16)17)9-1-3-10(6-18)19-7-9/h1-5,7H
InChIKeySXEHNKDHVNODSZ-UHFFFAOYSA-N
XLogP4.29
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
CID 25184445
2-[4-[3-chloro-4-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 25184588
1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene
CID 118805005
4-amino-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 118844697
5-[[5-[3-methyl-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridine-2-carbonitrile
CID 167576295
5-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 134628594
5-(3,4-dichlorophenyl)-3-fluoropyridine-2-carbonitrile
CID 133095931
1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene
CID 134625918
5-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134637957
2-chloro-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene
CID 167218956
2-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 118998520
[6-cyano-4-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 91882838

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile?
The IUPAC name of 5-[3-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile (CID 25184446) is 5-[3-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[3-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[3-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile is N#Cc1ccc(-c2ccc(C(F)(F)F)c(Cl)c2)cn1.
What is the InChIKey of 5-[3-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile?
The InChIKey is SXEHNKDHVNODSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF3N2/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-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile?
5-[3-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile has a molecular weight of 282.65 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 25184446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).