1-[3-(trifluoromethyl)phenyl]-2H-pyridine-6-carboxylic acid

C13H10F3NO2 — CID 154460798

IUPAC1-[3-(trifluoromethyl)phenyl]-2H-pyridine-6-carboxylic acid
SMILESO=C(O)C1=CC=CCN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)9-4-3-5-10(8-9)17-7-2-1-6-11(17)12(18)19/h1-6,8H,7H2,(H,18,19)
InChIKeySJTQHHYZUDQTBD-UHFFFAOYSA-N
MW269.22 g/mol
LogP3.05
Rot. Bonds2

About 1-[3-(trifluoromethyl)phenyl]-2H-pyridine-6-carboxylic acid

1-[3-(trifluoromethyl)phenyl]-2H-pyridine-6-carboxylic acid (PubChem CID 154460798) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]-2H-pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]-2H-pyridine-6-carboxylic acid
PubChem CID154460798
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name1-[3-(trifluoromethyl)phenyl]-2H-pyridine-6-carboxylic acid
SMILESO=C(O)C1=CC=CCN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)9-4-3-5-10(8-9)17-7-2-1-6-11(17)12(18)19/h1-6,8H,7H2,(H,18,19)
InChIKeySJTQHHYZUDQTBD-UHFFFAOYSA-N
XLogP3.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(trifluoromethyl)phenyl]-2H-pyridine-6-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-[2,5-dioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid
CID 10384140
1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 51063840
1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
CID 70692250
3-acetamido-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzoic acid
CID 20930241
5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 13284556
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121054613
2-[2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetate
CID 152760268
2-methyl-1-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxylic acid
CID 82362503
4-[[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]cyclohexane-1-carboxylic acid
CID 122031768
[2-oxo-1-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] carbamate
CID 175584788
4-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid
CID 117232945
N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2973748

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]-2H-pyridine-6-carboxylic acid?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]-2H-pyridine-6-carboxylic acid (CID 154460798) is 1-[3-(trifluoromethyl)phenyl]-2H-pyridine-6-carboxylic acid.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]-2H-pyridine-6-carboxylic acid?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]-2H-pyridine-6-carboxylic acid is O=C(O)C1=CC=CCN1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]-2H-pyridine-6-carboxylic acid?
The InChIKey is SJTQHHYZUDQTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c14-13(15,16)9-4-3-5-10(8-9)17-7-2-1-6-11(17)12(18)19/h1-6,8H,7H2,(H,18,19).
What are the key properties of 1-[3-(trifluoromethyl)phenyl]-2H-pyridine-6-carboxylic acid?
1-[3-(trifluoromethyl)phenyl]-2H-pyridine-6-carboxylic acid has a molecular weight of 269.22 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]-2H-pyridine-6-carboxylic acid is sourced from PubChem (CID 154460798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).