5-(2-fluoro-5-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid

C14H10FNO5 — CID 53224136

IUPAC5-(2-fluoro-5-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid
SMILESCOC(=O)c1ccc(F)c(-c2cc(C(=O)O)c[nH]c2=O)c1
InChIInChI=1S/C14H10FNO5/c1-21-14(20)7-2-3-11(15)9(4-7)10-5-8(13(18)19)6-16-12(10)17/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyMOWOPGPHWFFKAG-UHFFFAOYSA-N
MW291.23 g/mol
LogP1.67
Rot. Bonds3

About 5-(2-fluoro-5-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid

5-(2-fluoro-5-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 53224136) has the molecular formula C14H10FNO5 and a molecular weight of 291.23 g/mol. Its IUPAC name is 5-(2-fluoro-5-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluoro-5-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID53224136
Molecular FormulaC14H10FNO5
Molecular Weight291.23 g/mol
Exact Mass291.05
IUPAC Name5-(2-fluoro-5-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid
SMILESCOC(=O)c1ccc(F)c(-c2cc(C(=O)O)c[nH]c2=O)c1
InChIInChI=1S/C14H10FNO5/c1-21-14(20)7-2-3-11(15)9(4-7)10-5-8(13(18)19)6-16-12(10)17/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyMOWOPGPHWFFKAG-UHFFFAOYSA-N
XLogP1.67
TPSA96.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-5-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-(2-fluoro-5-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid (CID 53224136) is 5-(2-fluoro-5-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2-fluoro-5-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2-fluoro-5-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid is COC(=O)c1ccc(F)c(-c2cc(C(=O)O)c[nH]c2=O)c1.
What is the InChIKey of 5-(2-fluoro-5-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is MOWOPGPHWFFKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO5/c1-21-14(20)7-2-3-11(15)9(4-7)10-5-8(13(18)19)6-16-12(10)17/h2-6H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-(2-fluoro-5-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid?
5-(2-fluoro-5-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 291.23 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-5-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 53224136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).