4-oxo-3H-1,8-naphthyridine-3-carboxylic acid

C9H6N2O3 — CID 69490764

IUPAC4-oxo-3H-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)C1C=Nc2ncccc2C1=O
InChIInChI=1S/C9H6N2O3/c12-7-5-2-1-3-10-8(5)11-4-6(7)9(13)14/h1-4,6H,(H,13,14)
InChIKeyZMMAJVZOYAEFNK-UHFFFAOYSA-N
MW190.16 g/mol
LogP0.68
Rot. Bonds1

About 4-oxo-3H-1,8-naphthyridine-3-carboxylic acid

4-oxo-3H-1,8-naphthyridine-3-carboxylic acid (PubChem CID 69490764) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 4-oxo-3H-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-3H-1,8-naphthyridine-3-carboxylic acid
PubChem CID69490764
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name4-oxo-3H-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)C1C=Nc2ncccc2C1=O
InChIInChI=1S/C9H6N2O3/c12-7-5-2-1-3-10-8(5)11-4-6(7)9(13)14/h1-4,6H,(H,13,14)
InChIKeyZMMAJVZOYAEFNK-UHFFFAOYSA-N
XLogP0.68
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Nalidixic Acid
CID 4421
Amfonelic Acid
CID 2137
Nalidixate Sodium
CID 23675318
Nalidixate Sodium Anhydrous
CID 3864541
4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid
CID 5373672
1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-ethyl-6-fluoro-4-oxo-7-(4-pyridinyl)-
CID 5744078
3-Pyridinepropanoic acid, beta-oxo-, methyl ester
CID 108645
4-Oxo-1-[(4-phenylphenyl)methyl]-1,8-naphthyridine-3-carboxylic acid
CID 46885780
Ethyl 3-oxo-3-(pyridin-3-yl)propanoate
CID 222197
3-(6-Aminopyridin-3-yl)propanoic acid
CID 18404603
Nalidixic acid anion
CID 3996620
1-Ethyl-6-fluoro-4-oxo-7-pyrrol-1-yl-1,8-naphthyridine-3-carboxylic acid
CID 461448

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3H-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 4-oxo-3H-1,8-naphthyridine-3-carboxylic acid (CID 69490764) is 4-oxo-3H-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-3H-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 4-oxo-3H-1,8-naphthyridine-3-carboxylic acid is O=C(O)C1C=Nc2ncccc2C1=O.
What is the InChIKey of 4-oxo-3H-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is ZMMAJVZOYAEFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-7-5-2-1-3-10-8(5)11-4-6(7)9(13)14/h1-4,6H,(H,13,14).
What are the key properties of 4-oxo-3H-1,8-naphthyridine-3-carboxylic acid?
4-oxo-3H-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 190.16 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3H-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 69490764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).