6-bromo-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid

C11H8BrNO3 — CID 82249314

IUPAC6-bromo-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid
SMILESCc1c(C(=O)O)[nH]c2ccc(Br)cc2c1=O
InChIInChI=1S/C11H8BrNO3/c1-5-9(11(15)16)13-8-3-2-6(12)4-7(8)10(5)14/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKeyBZQDPHLWDUUAEV-UHFFFAOYSA-N
MW282.09 g/mol
LogP2.30
Rot. Bonds1

About 6-bromo-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid

6-bromo-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid (PubChem CID 82249314) has the molecular formula C11H8BrNO3 and a molecular weight of 282.09 g/mol. Its IUPAC name is 6-bromo-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-bromo-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid
PubChem CID82249314
Molecular FormulaC11H8BrNO3
Molecular Weight282.09 g/mol
Exact Mass280.97
IUPAC Name6-bromo-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid
SMILESCc1c(C(=O)O)[nH]c2ccc(Br)cc2c1=O
InChIInChI=1S/C11H8BrNO3/c1-5-9(11(15)16)13-8-3-2-6(12)4-7(8)10(5)14/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKeyBZQDPHLWDUUAEV-UHFFFAOYSA-N
XLogP2.30
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid?
The IUPAC name of 6-bromo-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid (CID 82249314) is 6-bromo-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 6-bromo-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 6-bromo-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid is Cc1c(C(=O)O)[nH]c2ccc(Br)cc2c1=O.
What is the InChIKey of 6-bromo-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid?
The InChIKey is BZQDPHLWDUUAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO3/c1-5-9(11(15)16)13-8-3-2-6(12)4-7(8)10(5)14/h2-4H,1H3,(H,13,14)(H,15,16).
What are the key properties of 6-bromo-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid?
6-bromo-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid has a molecular weight of 282.09 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 82249314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).