6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylic acid

C10H5BrClNO3 — CID 43532027

IUPAC6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(Cl)cc(Br)cc2c1=O
InChIInChI=1S/C10H5BrClNO3/c11-4-1-5-8(7(12)2-4)13-3-6(9(5)14)10(15)16/h1-3H,(H,13,14)(H,15,16)
InChIKeyVTXZXRBQSDVNCD-UHFFFAOYSA-N
MW302.51 g/mol
LogP2.64
Rot. Bonds1

About 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylic acid

6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 43532027) has the molecular formula C10H5BrClNO3 and a molecular weight of 302.51 g/mol. Its IUPAC name is 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID43532027
Molecular FormulaC10H5BrClNO3
Molecular Weight302.51 g/mol
Exact Mass300.91
IUPAC Name6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(Cl)cc(Br)cc2c1=O
InChIInChI=1S/C10H5BrClNO3/c11-4-1-5-8(7(12)2-4)13-3-6(9(5)14)10(15)16/h1-3H,(H,13,14)(H,15,16)
InChIKeyVTXZXRBQSDVNCD-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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylic acid (CID 43532027) is 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylic acid is O=C(O)c1c[nH]c2c(Cl)cc(Br)cc2c1=O.
What is the InChIKey of 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is VTXZXRBQSDVNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClNO3/c11-4-1-5-8(7(12)2-4)13-3-6(9(5)14)10(15)16/h1-3H,(H,13,14)(H,15,16).
What are the key properties of 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylic acid?
6-bromo-8-chloro-4-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 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 43532027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).