6-bromo-4-methylquinoline-3-carboxylic acid

C11H8BrNO2 — CID 39346115

IUPAC6-bromo-4-methylquinoline-3-carboxylic acid
SMILESCc1c(C(=O)O)cnc2ccc(Br)cc12
InChIInChI=1S/C11H8BrNO2/c1-6-8-4-7(12)2-3-10(8)13-5-9(6)11(14)15/h2-5H,1H3,(H,14,15)
InChIKeyJWZOKLNGXQIFLK-UHFFFAOYSA-N
MW266.09 g/mol
LogP3.00
Rot. Bonds1

About 6-bromo-4-methylquinoline-3-carboxylic acid

6-bromo-4-methylquinoline-3-carboxylic acid (PubChem CID 39346115) has the molecular formula C11H8BrNO2 and a molecular weight of 266.09 g/mol. Its IUPAC name is 6-bromo-4-methylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-4-methylquinoline-3-carboxylic acid
PubChem CID39346115
Molecular FormulaC11H8BrNO2
Molecular Weight266.09 g/mol
Exact Mass264.97
IUPAC Name6-bromo-4-methylquinoline-3-carboxylic acid
SMILESCc1c(C(=O)O)cnc2ccc(Br)cc12
InChIInChI=1S/C11H8BrNO2/c1-6-8-4-7(12)2-3-10(8)13-5-9(6)11(14)15/h2-5H,1H3,(H,14,15)
InChIKeyJWZOKLNGXQIFLK-UHFFFAOYSA-N
XLogP3.00
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Quinolinecarboxylic acid
CID 10243
Quinoline-3-carboxylic acid
CID 80971
2-Methyl-3-quinolinecarboxylic acid
CID 1481999
8-Quinolinecarboxylic acid
CID 66582
6-Quinolinecarboxylic acid
CID 82571
2-(Pyridin-2-yl)quinoline-4-carboxylic acid
CID 24103
6-Phenylnicotinic acid
CID 120118
6-Bromo-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 757946
Cinchoninic acid, 6-bromo-2-phenyl-
CID 208775
5-bromo-1H-indole-3-carboxylic acid
CID 7018243
6-(3-Bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
6-Bromo-2-methylquinoline-4-carboxylic acid
CID 305144

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methylquinoline-3-carboxylic acid?
The IUPAC name of 6-bromo-4-methylquinoline-3-carboxylic acid (CID 39346115) is 6-bromo-4-methylquinoline-3-carboxylic acid.
What is the SMILES notation for 6-bromo-4-methylquinoline-3-carboxylic acid?
The canonical SMILES for 6-bromo-4-methylquinoline-3-carboxylic acid is Cc1c(C(=O)O)cnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-methylquinoline-3-carboxylic acid?
The InChIKey is JWZOKLNGXQIFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2/c1-6-8-4-7(12)2-3-10(8)13-5-9(6)11(14)15/h2-5H,1H3,(H,14,15).
What are the key properties of 6-bromo-4-methylquinoline-3-carboxylic acid?
6-bromo-4-methylquinoline-3-carboxylic acid has a molecular weight of 266.09 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methylquinoline-3-carboxylic acid is sourced from PubChem (CID 39346115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).