2-fluoro-6-methoxypyridine-3-carboxylic acid

C7H6FNO3 — CID 22413270

IUPAC2-fluoro-6-methoxypyridine-3-carboxylic acid
SMILESCOc1ccc(C(=O)O)c(F)n1
InChIInChI=1S/C7H6FNO3/c1-12-5-3-2-4(7(10)11)6(8)9-5/h2-3H,1H3,(H,10,11)
InChIKeyGFWTZHJCJCPAQV-UHFFFAOYSA-N
MW171.13 g/mol
LogP0.93
Rot. Bonds2

About 2-fluoro-6-methoxypyridine-3-carboxylic acid

2-fluoro-6-methoxypyridine-3-carboxylic acid (PubChem CID 22413270) has the molecular formula C7H6FNO3 and a molecular weight of 171.13 g/mol. Its IUPAC name is 2-fluoro-6-methoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-6-methoxypyridine-3-carboxylic acid
PubChem CID22413270
Molecular FormulaC7H6FNO3
Molecular Weight171.13 g/mol
Exact Mass171.03
IUPAC Name2-fluoro-6-methoxypyridine-3-carboxylic acid
SMILESCOc1ccc(C(=O)O)c(F)n1
InChIInChI=1S/C7H6FNO3/c1-12-5-3-2-4(7(10)11)6(8)9-5/h2-3H,1H3,(H,10,11)
InChIKeyGFWTZHJCJCPAQV-UHFFFAOYSA-N
XLogP0.93
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 50.93
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 2-fluoro-6-methoxypyridine-3-carboxylic acid?
The IUPAC name of 2-fluoro-6-methoxypyridine-3-carboxylic acid (CID 22413270) is 2-fluoro-6-methoxypyridine-3-carboxylic acid.
What is the SMILES notation for 2-fluoro-6-methoxypyridine-3-carboxylic acid?
The canonical SMILES for 2-fluoro-6-methoxypyridine-3-carboxylic acid is COc1ccc(C(=O)O)c(F)n1.
What is the InChIKey of 2-fluoro-6-methoxypyridine-3-carboxylic acid?
The InChIKey is GFWTZHJCJCPAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO3/c1-12-5-3-2-4(7(10)11)6(8)9-5/h2-3H,1H3,(H,10,11).
What are the key properties of 2-fluoro-6-methoxypyridine-3-carboxylic acid?
2-fluoro-6-methoxypyridine-3-carboxylic acid has a molecular weight of 171.13 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 22413270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).