6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid

C14H9ClF3NO2 — CID 121205087

IUPAC6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C14H9ClF3NO2/c1-7-12(13(20)21)10(14(16,17)18)6-11(19-7)8-2-4-9(15)5-3-8/h2-6H,1H3,(H,20,21)
InChIKeyOMMGZERNJKCUCU-UHFFFAOYSA-N
MW315.68 g/mol
LogP4.43
Rot. Bonds2

About 6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid

6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 121205087) has the molecular formula C14H9ClF3NO2 and a molecular weight of 315.68 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID121205087
Molecular FormulaC14H9ClF3NO2
Molecular Weight315.68 g/mol
Exact Mass315.03
IUPAC Name6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C14H9ClF3NO2/c1-7-12(13(20)21)10(14(16,17)18)6-11(19-7)8-2-4-9(15)5-3-8/h2-6H,1H3,(H,20,21)
InChIKeyOMMGZERNJKCUCU-UHFFFAOYSA-N
XLogP4.43
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-chloro-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate
CID 59487345
2-methyl-4,6-bis(trifluoromethyl)pyridine-3-carboxylic acid
CID 163198807
1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone
CID 11450091
6-chloro-2-(4-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 633518
6-(4-chlorophenyl)-2-methyl-4-phenylpyridine-3-carboxamide
CID 10426313
6-(4-chlorophenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
CID 29091098
ethyl 2-methyl-6-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine-3-carboxylate
CID 76852879
4-tert-butyl-6-(4-chlorophenyl)-2-methylpyridin-3-amine
CID 142310931
2-chloro-6-(4-chlorophenyl)pyridine-4-carboxylic acid
CID 79020635
2-(3,5-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 114015723
6-(3-fluoro-4-methylphenyl)-2-(2-methoxyethylamino)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 70270019
3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 11494474

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid (CID 121205087) is 6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid is Cc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1C(=O)O.
What is the InChIKey of 6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is OMMGZERNJKCUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO2/c1-7-12(13(20)21)10(14(16,17)18)6-11(19-7)8-2-4-9(15)5-3-8/h2-6H,1H3,(H,20,21).
What are the key properties of 6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid?
6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 315.68 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 121205087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).