6-bromo-8-ethylquinoline-2-carboxylic acid

C12H10BrNO2 — CID 102941526

IUPAC6-bromo-8-ethylquinoline-2-carboxylic acid
SMILESCCc1cc(Br)cc2ccc(C(=O)O)nc12
InChIInChI=1S/C12H10BrNO2/c1-2-7-5-9(13)6-8-3-4-10(12(15)16)14-11(7)8/h3-6H,2H2,1H3,(H,15,16)
InChIKeyBLQZEKXFKQBWGR-UHFFFAOYSA-N
MW280.12 g/mol
LogP3.26
Rot. Bonds2

About 6-bromo-8-ethylquinoline-2-carboxylic acid

6-bromo-8-ethylquinoline-2-carboxylic acid (PubChem CID 102941526) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is 6-bromo-8-ethylquinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-bromo-8-ethylquinoline-2-carboxylic acid
PubChem CID102941526
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC Name6-bromo-8-ethylquinoline-2-carboxylic acid
SMILESCCc1cc(Br)cc2ccc(C(=O)O)nc12
InChIInChI=1S/C12H10BrNO2/c1-2-7-5-9(13)6-8-3-4-10(12(15)16)14-11(7)8/h3-6H,2H2,1H3,(H,15,16)
InChIKeyBLQZEKXFKQBWGR-UHFFFAOYSA-N
XLogP3.26
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-8-ethyl-4-methoxyquinoline-2-carboxylic acid
CID 102942112
6-bromo-8-ethyl-2-methoxyquinoline-3-carboxylic acid
CID 165460384
benzene;europium;1,10-phenanthroline-2,9-dicarboxylic acid
CID 161453399
6-bromo-8-ethyl-3-methyl-2-phenylquinoline-4-carboxylic acid
CID 4712153
6-bromo-2-tert-butyl-8-ethylquinoline-4-carboxylic acid
CID 82184140
8-(2-methylpropyl)-1,6-naphthyridine-2-carboxylic acid
CID 90178145
8-bromo-7-fluoroquinoline-2-carboxylic acid
CID 97036795
6,8-dichloroquinoline-2-carboxylic acid
CID 82243861
8-(2-methoxyethyl)quinoline-2-carboxylic acid
CID 102941517
2-[(4-bromo-2-ethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697325
6-bromo-N,8-diethyl-3-propylquinolin-2-amine
CID 81289355
5-ethyl-6-methoxycarbonylpyridine-2-carboxylic acid
CID 176920520

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-ethylquinoline-2-carboxylic acid?
The IUPAC name of 6-bromo-8-ethylquinoline-2-carboxylic acid (CID 102941526) is 6-bromo-8-ethylquinoline-2-carboxylic acid.
What is the SMILES notation for 6-bromo-8-ethylquinoline-2-carboxylic acid?
The canonical SMILES for 6-bromo-8-ethylquinoline-2-carboxylic acid is CCc1cc(Br)cc2ccc(C(=O)O)nc12.
What is the InChIKey of 6-bromo-8-ethylquinoline-2-carboxylic acid?
The InChIKey is BLQZEKXFKQBWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2/c1-2-7-5-9(13)6-8-3-4-10(12(15)16)14-11(7)8/h3-6H,2H2,1H3,(H,15,16).
What are the key properties of 6-bromo-8-ethylquinoline-2-carboxylic acid?
6-bromo-8-ethylquinoline-2-carboxylic acid has a molecular weight of 280.12 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-ethylquinoline-2-carboxylic acid is sourced from PubChem (CID 102941526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).