5-chloro-4-oxo-1H-quinoline-2-carboxylic acid

C10H6ClNO3 — CID 18415016

IUPAC5-chloro-4-oxo-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2c(Cl)cccc2[nH]1
InChIInChI=1S/C10H6ClNO3/c11-5-2-1-3-6-9(5)8(13)4-7(12-6)10(14)15/h1-4H,(H,12,13)(H,14,15)
InChIKeyDFZGBQMMFQSGFO-UHFFFAOYSA-N
MW223.62 g/mol
LogP1.88
Rot. Bonds1

About 5-chloro-4-oxo-1H-quinoline-2-carboxylic acid

5-chloro-4-oxo-1H-quinoline-2-carboxylic acid (PubChem CID 18415016) has the molecular formula C10H6ClNO3 and a molecular weight of 223.62 g/mol. Its IUPAC name is 5-chloro-4-oxo-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-4-oxo-1H-quinoline-2-carboxylic acid
PubChem CID18415016
Molecular FormulaC10H6ClNO3
Molecular Weight223.62 g/mol
Exact Mass223.00
IUPAC Name5-chloro-4-oxo-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2c(Cl)cccc2[nH]1
InChIInChI=1S/C10H6ClNO3/c11-5-2-1-3-6-9(5)8(13)4-7(12-6)10(14)15/h1-4H,(H,12,13)(H,14,15)
InChIKeyDFZGBQMMFQSGFO-UHFFFAOYSA-N
XLogP1.88
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-oxo-1H-quinoline-2-carboxylic acid?
The IUPAC name of 5-chloro-4-oxo-1H-quinoline-2-carboxylic acid (CID 18415016) is 5-chloro-4-oxo-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 5-chloro-4-oxo-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 5-chloro-4-oxo-1H-quinoline-2-carboxylic acid is O=C(O)c1cc(=O)c2c(Cl)cccc2[nH]1.
What is the InChIKey of 5-chloro-4-oxo-1H-quinoline-2-carboxylic acid?
The InChIKey is DFZGBQMMFQSGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO3/c11-5-2-1-3-6-9(5)8(13)4-7(12-6)10(14)15/h1-4H,(H,12,13)(H,14,15).
What are the key properties of 5-chloro-4-oxo-1H-quinoline-2-carboxylic acid?
5-chloro-4-oxo-1H-quinoline-2-carboxylic acid has a molecular weight of 223.62 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-oxo-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 18415016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).