2-methoxy-4-(trifluoromethyl)pyridine-3-carboxylic acid

C8H6F3NO3 — CID 50853166

IUPAC2-methoxy-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCOc1nccc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C8H6F3NO3/c1-15-6-5(7(13)14)4(2-3-12-6)8(9,10)11/h2-3H,1H3,(H,13,14)
InChIKeyIVGQUVMWYGVJHX-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.81
Rot. Bonds2

About 2-methoxy-4-(trifluoromethyl)pyridine-3-carboxylic acid

2-methoxy-4-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 50853166) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is 2-methoxy-4-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-4-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID50853166
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name2-methoxy-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCOc1nccc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C8H6F3NO3/c1-15-6-5(7(13)14)4(2-3-12-6)8(9,10)11/h2-3H,1H3,(H,13,14)
InChIKeyIVGQUVMWYGVJHX-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

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Related Compounds

2-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid
CID 215891
3-Pyridinecarboxylic acid, 4-(trifluoromethyl)-
CID 2777549
2,6-Dimethoxypyridine-3-carboxylic acid
CID 853178
2-Phenoxynicotinic acid
CID 123450
3-Pyridinecarboxylic acid, 2-phenoxy-, methyl ester
CID 215890
6-(2,2,2-Trifluoroethoxy)pyridine-3-carboxylic acid
CID 2781028
6-Methoxynicotinic acid
CID 592499
2-Methoxynicotinic acid
CID 708093
4-(Methoxycarbonyl)pyridine-3-carboxylic acid
CID 327525
Methyl 6-methoxypyridine-3-carboxylate
CID 586039
2-(Trifluoromethoxy)-4-pyridinecarboxylic acid
CID 49871140
2-(Difluoromethoxy)isonicotinic acid
CID 68050402

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-methoxy-4-(trifluoromethyl)pyridine-3-carboxylic acid (CID 50853166) is 2-methoxy-4-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methoxy-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-methoxy-4-(trifluoromethyl)pyridine-3-carboxylic acid is COc1nccc(C(F)(F)F)c1C(=O)O.
What is the InChIKey of 2-methoxy-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is IVGQUVMWYGVJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c1-15-6-5(7(13)14)4(2-3-12-6)8(9,10)11/h2-3H,1H3,(H,13,14).
What are the key properties of 2-methoxy-4-(trifluoromethyl)pyridine-3-carboxylic acid?
2-methoxy-4-(trifluoromethyl)pyridine-3-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-4-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 50853166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).