2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid

C9H8F3NO3 — CID 131492339

IUPAC2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCOCc1nc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C9H8F3NO3/c1-16-4-6-5(8(14)15)2-3-7(13-6)9(10,11)12/h2-3H,4H2,1H3,(H,14,15)
InChIKeyRXLPXSKXCZYAGT-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.95
Rot. Bonds3

About 2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid

2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 131492339) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID131492339
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Name2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCOCc1nc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C9H8F3NO3/c1-16-4-6-5(8(14)15)2-3-7(13-6)9(10,11)12/h2-3H,4H2,1H3,(H,14,15)
InChIKeyRXLPXSKXCZYAGT-UHFFFAOYSA-N
XLogP1.95
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-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

N-methoxy-2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 89007598
2-(methoxymethyl)-3-methyl-6-(trifluoromethyl)pyridine
CID 90397009
ethyl (2E)-2-[2-(methoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]-2-(2-methylpropanoylhydrazinylidene)acetate
CID 144723042
methyl 2-(2-hydroxyethoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 169434452
4-(methoxymethyl)-2-(trifluoromethyl)benzoic acid
CID 117220672
2-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 97035085
2-[hydroxy-[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methylidene]cyclohexane-1,3-dione
CID 20749431
2-propan-2-yloxy-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877639
(5R)-3-[hydroxy-[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methylidene]bicyclo[3.2.1]octane-2,4-dione
CID 71113963
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 106162711
3-ethyl-2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)pyridine
CID 144771514
3-[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)pyridine-3-carbonyl]bicyclo[3.2.1]octane-2,4-dione
CID 59428277

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 131492339) is 2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid is COCc1nc(C(F)(F)F)ccc1C(=O)O.
What is the InChIKey of 2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is RXLPXSKXCZYAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c1-16-4-6-5(8(14)15)2-3-7(13-6)9(10,11)12/h2-3H,4H2,1H3,(H,14,15).
What are the key properties of 2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 235.16 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 131492339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).