2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid

C8H6F3NO3 — CID 105476930

IUPAC2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c(C(F)(F)F)cn1
InChIInChI=1S/C8H6F3NO3/c1-15-6-2-4(7(13)14)5(3-12-6)8(9,10)11/h2-3H,1H3,(H,13,14)
InChIKeyWWWPGPPVWJWILM-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.81
Rot. Bonds2

About 2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid

2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid (PubChem CID 105476930) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is 2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid
PubChem CID105476930
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c(C(F)(F)F)cn1
InChIInChI=1S/C8H6F3NO3/c1-15-6-2-4(7(13)14)5(3-12-6)8(9,10)11/h2-3H,1H3,(H,13,14)
InChIKeyWWWPGPPVWJWILM-UHFFFAOYSA-N
XLogP1.81
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-5-(trifluoromethyl)pyridine-4-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

6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2775313
2-amino-5-(trifluoromethyl)pyridine-4-carboxylic acid
CID 53416466
4,6-dimethoxypyridine-3-carboxylic acid
CID 69266328
2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-carboxylic acid
CID 44558094
4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid
CID 130097491
2-methoxy-5-(triazol-2-yl)pyridine-4-carboxylic acid
CID 171797979
2-methoxy-5-nitropyridine-4-carboxylic acid
CID 105451249
2-(2,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-4-carboxylic acid
CID 118808083
5-fluoro-4-methoxy-2-(trifluoromethyl)benzoic acid
CID 131330568
5-(2-fluorophenyl)-2-methoxypyridine-4-carboxylic acid
CID 46314072
2-methoxy-5-propan-2-yl-4-(trifluoromethyl)pyridine
CID 138551515
5-(trifluoromethyl)pyridazine-4-carboxylic acid
CID 69242850

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid (CID 105476930) is 2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid is COc1cc(C(=O)O)c(C(F)(F)F)cn1.
What is the InChIKey of 2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid?
The InChIKey is WWWPGPPVWJWILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c1-15-6-2-4(7(13)14)5(3-12-6)8(9,10)11/h2-3H,1H3,(H,13,14).
What are the key properties of 2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid?
2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid has a molecular weight of 221.13 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 105476930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).