2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid

C9H8F3NO3 — CID 82389554

IUPAC2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCOc1nc(C)cc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C9H8F3NO3/c1-4-3-5(9(10,11)12)6(8(14)15)7(13-4)16-2/h3H,1-2H3,(H,14,15)
InChIKeyZGAFWXLLSRUUNY-UHFFFAOYSA-N
MW235.16 g/mol
LogP2.12
Rot. Bonds2

About 2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid

2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 82389554) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID82389554
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Name2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCOc1nc(C)cc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C9H8F3NO3/c1-4-3-5(9(10,11)12)6(8(14)15)7(13-4)16-2/h3H,1-2H3,(H,14,15)
InChIKeyZGAFWXLLSRUUNY-UHFFFAOYSA-N
XLogP2.12
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 19257215
2-methoxy-4-methyl-6-(trifluoromethyl)benzene-1,3-dicarboxylic acid
CID 82667545
2-methoxy-6-methyl-3-(trifluoromethyl)pyridine
CID 70661653
2-methyl-4,6-bis(trifluoromethyl)pyridine-3-carboxylic acid
CID 163198807
6-methoxy-4-methylpyridine-2,5-dicarboxylic acid
CID 91509956
N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 22095082
4-(difluoromethyl)-6-fluoro-2-methoxypyridine-3-carboxylic acid
CID 118806000
3-cyano-6-methyl-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 75176105
3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxamide
CID 154014203
4-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118828873
4-cyano-2-methoxy-6-(trifluoromethyl)benzoic acid
CID 118833498
2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid
CID 105476930

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid (CID 82389554) is 2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid is COc1nc(C)cc(C(F)(F)F)c1C(=O)O.
What is the InChIKey of 2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is ZGAFWXLLSRUUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c1-4-3-5(9(10,11)12)6(8(14)15)7(13-4)16-2/h3H,1-2H3,(H,14,15).
What are the key properties of 2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid?
2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 235.16 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 82389554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).