8-bromo-4,5-dichloro-6-methylquinoline-2-carboxylic acid

C11H6BrCl2NO2 — CID 104725291

IUPAC8-bromo-4,5-dichloro-6-methylquinoline-2-carboxylic acid
SMILESCc1cc(Br)c2nc(C(=O)O)cc(Cl)c2c1Cl
InChIInChI=1S/C11H6BrCl2NO2/c1-4-2-5(12)10-8(9(4)14)6(13)3-7(15-10)11(16)17/h2-3H,1H3,(H,16,17)
InChIKeyRRCFFPQAVCPYFN-UHFFFAOYSA-N
MW334.98 g/mol
LogP4.31
Rot. Bonds1

About 8-bromo-4,5-dichloro-6-methylquinoline-2-carboxylic acid

8-bromo-4,5-dichloro-6-methylquinoline-2-carboxylic acid (PubChem CID 104725291) has the molecular formula C11H6BrCl2NO2 and a molecular weight of 334.98 g/mol. Its IUPAC name is 8-bromo-4,5-dichloro-6-methylquinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-bromo-4,5-dichloro-6-methylquinoline-2-carboxylic acid
PubChem CID104725291
Molecular FormulaC11H6BrCl2NO2
Molecular Weight334.98 g/mol
Exact Mass332.90
IUPAC Name8-bromo-4,5-dichloro-6-methylquinoline-2-carboxylic acid
SMILESCc1cc(Br)c2nc(C(=O)O)cc(Cl)c2c1Cl
InChIInChI=1S/C11H6BrCl2NO2/c1-4-2-5(12)10-8(9(4)14)6(13)3-7(15-10)11(16)17/h2-3H,1H3,(H,16,17)
InChIKeyRRCFFPQAVCPYFN-UHFFFAOYSA-N
XLogP4.31
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.98
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,8-dibromo-4-chloroquinoline-2-carboxylic acid
CID 63376797
methyl 4,5,8-trichloro-6-methylquinoline-2-carboxylate
CID 113445998
4,5,8-trichloroquinoline-2-carboxylic acid
CID 63376315
4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130108285
4-chloro-7-fluoro-5-methylquinoline-2-carboxylic acid
CID 79046961
4-chloro-6-fluoro-8-methylquinoline-2-carboxylic acid
CID 63376825
6-[(2-bromo-5-chloro-4-methylanilino)methyl]pyridine-2-carboxylic acid
CID 106904956
4,5,7-trichloro-6-fluoroquinoline-2-carboxylic acid
CID 107579516
4-chloro-6,7,8-trifluoroquinoline-2-carboxylic acid
CID 55184890
4-chloro-5,7-difluoroquinoline-2-carboxylic acid
CID 63375740
1-bromo-8-chloroisoquinoline-3-carboxylic acid
CID 165441673
5-bromo-2-chloro-6-fluoro-3-methylbenzoic acid
CID 118456895

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4,5-dichloro-6-methylquinoline-2-carboxylic acid?
The IUPAC name of 8-bromo-4,5-dichloro-6-methylquinoline-2-carboxylic acid (CID 104725291) is 8-bromo-4,5-dichloro-6-methylquinoline-2-carboxylic acid.
What is the SMILES notation for 8-bromo-4,5-dichloro-6-methylquinoline-2-carboxylic acid?
The canonical SMILES for 8-bromo-4,5-dichloro-6-methylquinoline-2-carboxylic acid is Cc1cc(Br)c2nc(C(=O)O)cc(Cl)c2c1Cl.
What is the InChIKey of 8-bromo-4,5-dichloro-6-methylquinoline-2-carboxylic acid?
The InChIKey is RRCFFPQAVCPYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2NO2/c1-4-2-5(12)10-8(9(4)14)6(13)3-7(15-10)11(16)17/h2-3H,1H3,(H,16,17).
What are the key properties of 8-bromo-4,5-dichloro-6-methylquinoline-2-carboxylic acid?
8-bromo-4,5-dichloro-6-methylquinoline-2-carboxylic acid has a molecular weight of 334.98 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4,5-dichloro-6-methylquinoline-2-carboxylic acid is sourced from PubChem (CID 104725291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).