8-bromo-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid

C10H5BrClNO3 — CID 114553154

IUPAC8-bromo-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1cc2cc(Cl)cc(Br)c2[nH]c1=O
InChIInChI=1S/C10H5BrClNO3/c11-7-3-5(12)1-4-2-6(10(15)16)9(14)13-8(4)7/h1-3H,(H,13,14)(H,15,16)
InChIKeyPPAJSYAPJKOEDM-UHFFFAOYSA-N
MW302.51 g/mol
LogP2.64
Rot. Bonds1

About 8-bromo-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid

8-bromo-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 114553154) has the molecular formula C10H5BrClNO3 and a molecular weight of 302.51 g/mol. Its IUPAC name is 8-bromo-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-bromo-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID114553154
Molecular FormulaC10H5BrClNO3
Molecular Weight302.51 g/mol
Exact Mass300.91
IUPAC Name8-bromo-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1cc2cc(Cl)cc(Br)c2[nH]c1=O
InChIInChI=1S/C10H5BrClNO3/c11-7-3-5(12)1-4-2-6(10(15)16)9(14)13-8(4)7/h1-3H,(H,13,14)(H,15,16)
InChIKeyPPAJSYAPJKOEDM-UHFFFAOYSA-N
XLogP2.64
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.51
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-carbamoyl-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid
CID 71077296
8-bromo-6-chloro-3-(methoxymethyl)-1H-quinolin-2-one
CID 165134194
8-bromo-6-chloro-1H-quinolin-2-one
CID 81272746
6,7,8-trifluoro-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690298
6-chloro-2-oxo-8-[[[2-(2,4,5-trifluorophenyl)acetyl]amino]methyl]-1H-quinoline-3-carboxylic acid
CID 71077641
7-chloro-8-methyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 6501545
5-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid
CID 114553149
8-[amino(pyridin-2-yl)methyl]-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid
CID 71077433
6-chloro-8-[[[2-(2-methylphenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid
CID 71077439
6-chloro-2-oxo-8-[(pyrazine-2-carbonylamino)methyl]-1H-quinoline-3-carboxylic acid
CID 71077568
8-bromo-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 165352016
5-bromo-7-chloro-1-oxo-2H-isoquinoline-3-carboxylic acid
CID 114517731

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 8-bromo-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid (CID 114553154) is 8-bromo-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 8-bromo-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 8-bromo-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid is O=C(O)c1cc2cc(Cl)cc(Br)c2[nH]c1=O.
What is the InChIKey of 8-bromo-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is PPAJSYAPJKOEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClNO3/c11-7-3-5(12)1-4-2-6(10(15)16)9(14)13-8(4)7/h1-3H,(H,13,14)(H,15,16).
What are the key properties of 8-bromo-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid?
8-bromo-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 302.51 g/mol, XLogP of 2.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 114553154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).