6-oxo-5H-1,5-naphthyridine-3-carboxylic acid

C9H6N2O3 — CID 83679759

IUPAC6-oxo-5H-1,5-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(=O)[nH]c2c1
InChIInChI=1S/C9H6N2O3/c12-8-2-1-6-7(11-8)3-5(4-10-6)9(13)14/h1-4H,(H,11,12)(H,13,14)
InChIKeyROCSLKUJNBIKMI-UHFFFAOYSA-N
MW190.16 g/mol
LogP0.62
Rot. Bonds1

About 6-oxo-5H-1,5-naphthyridine-3-carboxylic acid

6-oxo-5H-1,5-naphthyridine-3-carboxylic acid (PubChem CID 83679759) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 6-oxo-5H-1,5-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-5H-1,5-naphthyridine-3-carboxylic acid
PubChem CID83679759
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name6-oxo-5H-1,5-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(=O)[nH]c2c1
InChIInChI=1S/C9H6N2O3/c12-8-2-1-6-7(11-8)3-5(4-10-6)9(13)14/h1-4H,(H,11,12)(H,13,14)
InChIKeyROCSLKUJNBIKMI-UHFFFAOYSA-N
XLogP0.62
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-5H-1,5-naphthyridine-3-carbonitrile
CID 68864381
7-[4-(3,3-dimethyl-2-oxobutyl)benzoyl]-1H-quinoxalin-2-one
CID 159938990
7-methyl-1H-quinoxalin-2-one
CID 583114
7-(difluoromethoxy)-1H-1,5-naphthyridin-2-one
CID 130303543
2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylic acid
CID 155978085
5-oxo-6H-1,6-naphthyridine-3-carboxylic acid
CID 169248759
3-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 55263882
6-hydroxyquinoline-3-carboxylic acid
CID 58902455
6-chloroquinoline-3-carboxylic acid
CID 14241492
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
N-methyl-3-oxo-N-(1H-pyrazol-4-yl)-4H-quinoxaline-6-carboxamide
CID 167767821
1H-quinoxalin-2-one;dihydrochloride
CID 141445979

Frequently Asked Questions

What is the IUPAC name of 6-oxo-5H-1,5-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-oxo-5H-1,5-naphthyridine-3-carboxylic acid (CID 83679759) is 6-oxo-5H-1,5-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-5H-1,5-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-oxo-5H-1,5-naphthyridine-3-carboxylic acid is O=C(O)c1cnc2ccc(=O)[nH]c2c1.
What is the InChIKey of 6-oxo-5H-1,5-naphthyridine-3-carboxylic acid?
The InChIKey is ROCSLKUJNBIKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-8-2-1-6-7(11-8)3-5(4-10-6)9(13)14/h1-4H,(H,11,12)(H,13,14).
What are the key properties of 6-oxo-5H-1,5-naphthyridine-3-carboxylic acid?
6-oxo-5H-1,5-naphthyridine-3-carboxylic acid has a molecular weight of 190.16 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-5H-1,5-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 83679759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).