5-fluoro-4-formyl-2-methoxypyridine-3-carboxylic acid

C8H6FNO4 — CID 151287793

IUPAC5-fluoro-4-formyl-2-methoxypyridine-3-carboxylic acid
SMILESCOc1ncc(F)c(C=O)c1C(=O)O
InChIInChI=1S/C8H6FNO4/c1-14-7-6(8(12)13)4(3-11)5(9)2-10-7/h2-3H,1H3,(H,12,13)
InChIKeyNZTWKNYYGYEVOK-UHFFFAOYSA-N
MW199.14 g/mol
LogP0.74
Rot. Bonds3

About 5-fluoro-4-formyl-2-methoxypyridine-3-carboxylic acid

5-fluoro-4-formyl-2-methoxypyridine-3-carboxylic acid (PubChem CID 151287793) has the molecular formula C8H6FNO4 and a molecular weight of 199.14 g/mol. Its IUPAC name is 5-fluoro-4-formyl-2-methoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-4-formyl-2-methoxypyridine-3-carboxylic acid
PubChem CID151287793
Molecular FormulaC8H6FNO4
Molecular Weight199.14 g/mol
Exact Mass199.03
IUPAC Name5-fluoro-4-formyl-2-methoxypyridine-3-carboxylic acid
SMILESCOc1ncc(F)c(C=O)c1C(=O)O
InChIInChI=1S/C8H6FNO4/c1-14-7-6(8(12)13)4(3-11)5(9)2-10-7/h2-3H,1H3,(H,12,13)
InChIKeyNZTWKNYYGYEVOK-UHFFFAOYSA-N
XLogP0.74
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.14
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-formyl-2-methoxypyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-4-formyl-2-methoxypyridine-3-carboxylic acid (CID 151287793) is 5-fluoro-4-formyl-2-methoxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-4-formyl-2-methoxypyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-4-formyl-2-methoxypyridine-3-carboxylic acid is COc1ncc(F)c(C=O)c1C(=O)O.
What is the InChIKey of 5-fluoro-4-formyl-2-methoxypyridine-3-carboxylic acid?
The InChIKey is NZTWKNYYGYEVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO4/c1-14-7-6(8(12)13)4(3-11)5(9)2-10-7/h2-3H,1H3,(H,12,13).
What are the key properties of 5-fluoro-4-formyl-2-methoxypyridine-3-carboxylic acid?
5-fluoro-4-formyl-2-methoxypyridine-3-carboxylic acid has a molecular weight of 199.14 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-formyl-2-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 151287793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).