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

C14H10F3NO2 — CID 112694386

IUPAC2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESCc1nc(-c2ccccc2C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C14H10F3NO2/c1-8-9(13(19)20)6-7-12(18-8)10-4-2-3-5-11(10)14(15,16)17/h2-7H,1H3,(H,19,20)
InChIKeySJWMXCUYNJQHPG-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.77
Rot. Bonds2

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

2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 112694386) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
PubChem CID112694386
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESCc1nc(-c2ccccc2C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C14H10F3NO2/c1-8-9(13(19)20)6-7-12(18-8)10-4-2-3-5-11(10)14(15,16)17/h2-7H,1H3,(H,19,20)
InChIKeySJWMXCUYNJQHPG-UHFFFAOYSA-N
XLogP3.77
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-6-(2-methylphenyl)pyridine-3-carboxylic acid
CID 112561990
6-(2-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 112562051
4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid
CID 115069883
6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 24729991
3-methyl-2-[2-(trifluoromethyl)phenyl]benzoic acid
CID 67230455
7-acetamido-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 18073617
6-(2,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69042733
4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 22030043
[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]carbamic acid
CID 123391936
5-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
CID 146037649
4-chloro-2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]pyridine
CID 123435575
2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzoic acid
CID 97057770

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (CID 112694386) is 2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is Cc1nc(-c2ccccc2C(F)(F)F)ccc1C(=O)O.
What is the InChIKey of 2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is SJWMXCUYNJQHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c1-8-9(13(19)20)6-7-12(18-8)10-4-2-3-5-11(10)14(15,16)17/h2-7H,1H3,(H,19,20).
What are the key properties of 2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid has a molecular weight of 281.23 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 112694386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).