3-chloro-6-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid

C14H8Cl2F3NO2 — CID 142574205

IUPAC3-chloro-6-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
SMILESCc1cc(C(F)(F)F)cc(Cl)c1-c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C14H8Cl2F3NO2/c1-6-4-7(14(17,18)19)5-9(16)11(6)10-3-2-8(15)12(20-10)13(21)22/h2-5H,1H3,(H,21,22)
InChIKeySRHNKIHLDCEGEU-UHFFFAOYSA-N
MW350.12 g/mol
LogP5.08
Rot. Bonds2

About 3-chloro-6-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid

3-chloro-6-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid (PubChem CID 142574205) has the molecular formula C14H8Cl2F3NO2 and a molecular weight of 350.12 g/mol. Its IUPAC name is 3-chloro-6-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
PubChem CID142574205
Molecular FormulaC14H8Cl2F3NO2
Molecular Weight350.12 g/mol
Exact Mass348.99
IUPAC Name3-chloro-6-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
SMILESCc1cc(C(F)(F)F)cc(Cl)c1-c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C14H8Cl2F3NO2/c1-6-4-7(14(17,18)19)5-9(16)11(6)10-3-2-8(15)12(20-10)13(21)22/h2-5H,1H3,(H,21,22)
InChIKeySRHNKIHLDCEGEU-UHFFFAOYSA-N
XLogP5.08
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.12
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-6-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-6-[2-chloro-6-cyano-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;ethane
CID 142574449
3-chloro-6-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 166584127
3-fluoro-6-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid
CID 133090327
3-chloro-6-[3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 142574278
3-chloro-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 29080706
3-chloro-6-(4-chloro-2,3-difluorophenyl)pyridine-2-carboxylic acid
CID 142574457
7-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 87565919
4-amino-3-chloro-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 22677423
3-chloro-6-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid
CID 28524706
3-amino-6-[3,5-bis(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 169133743
3,8-dichloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 151278989
3,6-dichloropyridine-2-carboxylic acid;propan-2-amine
CID 174671655

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid (CID 142574205) is 3-chloro-6-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid is Cc1cc(C(F)(F)F)cc(Cl)c1-c1ccc(Cl)c(C(=O)O)n1.
What is the InChIKey of 3-chloro-6-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The InChIKey is SRHNKIHLDCEGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F3NO2/c1-6-4-7(14(17,18)19)5-9(16)11(6)10-3-2-8(15)12(20-10)13(21)22/h2-5H,1H3,(H,21,22).
What are the key properties of 3-chloro-6-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
3-chloro-6-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid has a molecular weight of 350.12 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[2-chloro-6-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 142574205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).