2-[2-chloro-4-(trifluoromethyl)anilino]-6-methylpyridine-4-carbonitrile

C14H9ClF3N3 — CID 114766291

IUPAC2-[2-chloro-4-(trifluoromethyl)anilino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Nc2ccc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C14H9ClF3N3/c1-8-4-9(7-19)5-13(20-8)21-12-3-2-10(6-11(12)15)14(16,17)18/h2-6H,1H3,(H,20,21)
InChIKeyIXINKJJFSONCCA-UHFFFAOYSA-N
MW311.69 g/mol
LogP4.68
Rot. Bonds2

About 2-[2-chloro-4-(trifluoromethyl)anilino]-6-methylpyridine-4-carbonitrile

2-[2-chloro-4-(trifluoromethyl)anilino]-6-methylpyridine-4-carbonitrile (PubChem CID 114766291) has the molecular formula C14H9ClF3N3 and a molecular weight of 311.69 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethyl)anilino]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-chloro-4-(trifluoromethyl)anilino]-6-methylpyridine-4-carbonitrile
PubChem CID114766291
Molecular FormulaC14H9ClF3N3
Molecular Weight311.69 g/mol
Exact Mass311.04
IUPAC Name2-[2-chloro-4-(trifluoromethyl)anilino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Nc2ccc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C14H9ClF3N3/c1-8-4-9(7-19)5-13(20-8)21-12-3-2-10(6-11(12)15)14(16,17)18/h2-6H,1H3,(H,20,21)
InChIKeyIXINKJJFSONCCA-UHFFFAOYSA-N
XLogP4.68
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.69
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 80834320
6-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 63668990
2-chloro-6-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carbonitrile
CID 83077729
3-chloro-4-[(2-chloro-6-methylpyrimidin-4-yl)amino]benzonitrile
CID 107809621
2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile
CID 114765804
2-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine
CID 80833737
4-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80817280
2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114766611
6-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrimidin-4-amine
CID 63729895
3-chloro-4-[2-fluoro-5-(trifluoromethyl)anilino]benzonitrile
CID 63510677
2-[(5-chloroquinolin-8-yl)amino]-6-methylpyridine-4-carbonitrile
CID 114766696
2-(5-chloro-2,4-dimethoxyanilino)-6-methylpyridine-4-carbonitrile
CID 114765705

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(trifluoromethyl)anilino]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[2-chloro-4-(trifluoromethyl)anilino]-6-methylpyridine-4-carbonitrile (CID 114766291) is 2-[2-chloro-4-(trifluoromethyl)anilino]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-chloro-4-(trifluoromethyl)anilino]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[2-chloro-4-(trifluoromethyl)anilino]-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(Nc2ccc(C(F)(F)F)cc2Cl)n1.
What is the InChIKey of 2-[2-chloro-4-(trifluoromethyl)anilino]-6-methylpyridine-4-carbonitrile?
The InChIKey is IXINKJJFSONCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3/c1-8-4-9(7-19)5-13(20-8)21-12-3-2-10(6-11(12)15)14(16,17)18/h2-6H,1H3,(H,20,21).
What are the key properties of 2-[2-chloro-4-(trifluoromethyl)anilino]-6-methylpyridine-4-carbonitrile?
2-[2-chloro-4-(trifluoromethyl)anilino]-6-methylpyridine-4-carbonitrile has a molecular weight of 311.69 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(trifluoromethyl)anilino]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114766291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).