1-methoxy-2-oxopyridine-3-carboxylic acid

C7H7NO4 — CID 90711575

IUPAC1-methoxy-2-oxopyridine-3-carboxylic acid
SMILESCOn1cccc(C(=O)O)c1=O
InChIInChI=1S/C7H7NO4/c1-12-8-4-2-3-5(6(8)9)7(10)11/h2-4H,1H3,(H,10,11)
InChIKeyOZYFTLMQMSFHGX-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.40
Rot. Bonds2

About 1-methoxy-2-oxopyridine-3-carboxylic acid

1-methoxy-2-oxopyridine-3-carboxylic acid (PubChem CID 90711575) has the molecular formula C7H7NO4 and a molecular weight of 169.14 g/mol. Its IUPAC name is 1-methoxy-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-methoxy-2-oxopyridine-3-carboxylic acid
PubChem CID90711575
Molecular FormulaC7H7NO4
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Name1-methoxy-2-oxopyridine-3-carboxylic acid
SMILESCOn1cccc(C(=O)O)c1=O
InChIInChI=1S/C7H7NO4/c1-12-8-4-2-3-5(6(8)9)7(10)11/h2-4H,1H3,(H,10,11)
InChIKeyOZYFTLMQMSFHGX-UHFFFAOYSA-N
XLogP-0.40
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid
CID 82108099
9-methoxy-4-oxoquinolizine-3-carboxylic acid
CID 56617934
1-[(4-ethoxycarbonylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid
CID 82108106
1-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid
CID 82108075
2-oxo-1-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]pyridine-3-carboxylic acid
CID 82108083
1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylic acid
CID 22309095
2-oxo-1-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid
CID 82108139
1-(2-methyl-3-pyridinyl)-2-oxopyridine-3-carboxylic acid
CID 137457935
1-(5-chloro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid
CID 94288870
2-oxo-1-pyridin-3-ylpyridine-3-carboxylic acid
CID 21081587
1-[2-(4-chloro-2-methylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid
CID 82108119
1-[2-(4-butan-2-ylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid
CID 82108087

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-methoxy-2-oxopyridine-3-carboxylic acid (CID 90711575) is 1-methoxy-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-methoxy-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-methoxy-2-oxopyridine-3-carboxylic acid is COn1cccc(C(=O)O)c1=O.
What is the InChIKey of 1-methoxy-2-oxopyridine-3-carboxylic acid?
The InChIKey is OZYFTLMQMSFHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4/c1-12-8-4-2-3-5(6(8)9)7(10)11/h2-4H,1H3,(H,10,11).
What are the key properties of 1-methoxy-2-oxopyridine-3-carboxylic acid?
1-methoxy-2-oxopyridine-3-carboxylic acid has a molecular weight of 169.14 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 90711575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).