6-fluoro-4-methoxy-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid

C9H7F4NO3 — CID 178173665

IUPAC6-fluoro-4-methoxy-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCOc1c(C(=O)O)c(C)nc(F)c1C(F)(F)F
InChIInChI=1S/C9H7F4NO3/c1-3-4(8(15)16)6(17-2)5(7(10)14-3)9(11,12)13/h1-2H3,(H,15,16)
InChIKeyCOKWRWUQVZQXLZ-UHFFFAOYSA-N
MW253.15 g/mol
LogP2.25
Rot. Bonds2

About 6-fluoro-4-methoxy-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid

6-fluoro-4-methoxy-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 178173665) has the molecular formula C9H7F4NO3 and a molecular weight of 253.15 g/mol. Its IUPAC name is 6-fluoro-4-methoxy-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-4-methoxy-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID178173665
Molecular FormulaC9H7F4NO3
Molecular Weight253.15 g/mol
Exact Mass253.04
IUPAC Name6-fluoro-4-methoxy-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCOc1c(C(=O)O)c(C)nc(F)c1C(F)(F)F
InChIInChI=1S/C9H7F4NO3/c1-3-4(8(15)16)6(17-2)5(7(10)14-3)9(11,12)13/h1-2H3,(H,15,16)
InChIKeyCOKWRWUQVZQXLZ-UHFFFAOYSA-N
XLogP2.25
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.15
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methoxy-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-fluoro-4-methoxy-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid (CID 178173665) is 6-fluoro-4-methoxy-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-4-methoxy-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-fluoro-4-methoxy-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid is COc1c(C(=O)O)c(C)nc(F)c1C(F)(F)F.
What is the InChIKey of 6-fluoro-4-methoxy-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is COKWRWUQVZQXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F4NO3/c1-3-4(8(15)16)6(17-2)5(7(10)14-3)9(11,12)13/h1-2H3,(H,15,16).
What are the key properties of 6-fluoro-4-methoxy-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid?
6-fluoro-4-methoxy-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 253.15 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methoxy-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 178173665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).