4-chloro-1,8-naphthyridine-3-carboxylic acid

C9H5ClN2O2 — CID 84676405

IUPAC4-chloro-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2ncccc2c1Cl
InChIInChI=1S/C9H5ClN2O2/c10-7-5-2-1-3-11-8(5)12-4-6(7)9(13)14/h1-4H,(H,13,14)
InChIKeyNUMKXWQBDPIGAT-UHFFFAOYSA-N
MW208.60 g/mol
LogP1.98
Rot. Bonds1

About 4-chloro-1,8-naphthyridine-3-carboxylic acid

4-chloro-1,8-naphthyridine-3-carboxylic acid (PubChem CID 84676405) has the molecular formula C9H5ClN2O2 and a molecular weight of 208.60 g/mol. Its IUPAC name is 4-chloro-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1,8-naphthyridine-3-carboxylic acid
PubChem CID84676405
Molecular FormulaC9H5ClN2O2
Molecular Weight208.60 g/mol
Exact Mass208.00
IUPAC Name4-chloro-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2ncccc2c1Cl
InChIInChI=1S/C9H5ClN2O2/c10-7-5-2-1-3-11-8(5)12-4-6(7)9(13)14/h1-4H,(H,13,14)
InChIKeyNUMKXWQBDPIGAT-UHFFFAOYSA-N
XLogP1.98
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.60
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-1,8-naphthyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 67617550
5-amino-1,6-naphthyridine-8-carboxylic acid
CID 73425151
5-chloro-8-hydroxyquinoline-7-carboxylic acid
CID 14534767
8-chloroquinoline-7-carboxylic acid
CID 70925417
4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 118839306
1,5-dichloroisoquinoline-4-carboxylic acid
CID 84703045
4,6,8-trichloroquinoline-3-carboxylic acid
CID 86810509
4-chloro-2-quinolin-5-ylbenzoic acid
CID 107989819
2-[(3,4,5-trichloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 63653226
2-(4-methylphenyl)-1,8-naphthyridine-4-carboxylic acid
CID 70910197
4-oxothiopyrano[2,3-b]pyridine-3-carboxylic acid
CID 74892802
pyridine-2,3-dicarboxylic acid
CID 1066

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 4-chloro-1,8-naphthyridine-3-carboxylic acid (CID 84676405) is 4-chloro-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 4-chloro-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 4-chloro-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cnc2ncccc2c1Cl.
What is the InChIKey of 4-chloro-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is NUMKXWQBDPIGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O2/c10-7-5-2-1-3-11-8(5)12-4-6(7)9(13)14/h1-4H,(H,13,14).
What are the key properties of 4-chloro-1,8-naphthyridine-3-carboxylic acid?
4-chloro-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 208.60 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 84676405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).