8-bromo-2,6-dimethylquinoline-4-carboxylic acid

C12H10BrNO2 — CID 82184081

IUPAC8-bromo-2,6-dimethylquinoline-4-carboxylic acid
SMILESCc1cc(Br)c2nc(C)cc(C(=O)O)c2c1
InChIInChI=1S/C12H10BrNO2/c1-6-3-8-9(12(15)16)5-7(2)14-11(8)10(13)4-6/h3-5H,1-2H3,(H,15,16)
InChIKeyZYIRFPMFNZHPHI-UHFFFAOYSA-N
MW280.12 g/mol
LogP3.31
Rot. Bonds1

About 8-bromo-2,6-dimethylquinoline-4-carboxylic acid

8-bromo-2,6-dimethylquinoline-4-carboxylic acid (PubChem CID 82184081) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is 8-bromo-2,6-dimethylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-bromo-2,6-dimethylquinoline-4-carboxylic acid
PubChem CID82184081
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC Name8-bromo-2,6-dimethylquinoline-4-carboxylic acid
SMILESCc1cc(Br)c2nc(C)cc(C(=O)O)c2c1
InChIInChI=1S/C12H10BrNO2/c1-6-3-8-9(12(15)16)5-7(2)14-11(8)10(13)4-6/h3-5H,1-2H3,(H,15,16)
InChIKeyZYIRFPMFNZHPHI-UHFFFAOYSA-N
XLogP3.31
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 1227056
8-bromo-2-cyclopropyl-6-methylquinoline-4-carboxylic acid
CID 82184119
6-bromo-8-chloro-2-methylquinoline-4-carboxylic acid
CID 82184087
8-bromo-2-chloro-6-methylquinoline-4-carbonyl chloride
CID 170753013
3-bromo-2,5-dimethylbenzoic acid
CID 59238245
4-chloro-2,6-dimethylquinoline-8-carboxylic acid
CID 82574820
6-chloro-8-hydroxy-2-methylquinoline-4-carboxylic acid
CID 154201700
2-bromo-4-methylbenzoic acid;ethane
CID 143170535
8-fluoro-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid
CID 63463310
piperidin-1-yl-(2,6,8-trimethylquinolin-4-yl)methanone
CID 46291566
2-amino-3-bromo-5-methylbenzoic acid
CID 2774400
4-bromo-6-methyl-1H-benzimidazole-2-carboxylic acid
CID 84635509

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2,6-dimethylquinoline-4-carboxylic acid?
The IUPAC name of 8-bromo-2,6-dimethylquinoline-4-carboxylic acid (CID 82184081) is 8-bromo-2,6-dimethylquinoline-4-carboxylic acid.
What is the SMILES notation for 8-bromo-2,6-dimethylquinoline-4-carboxylic acid?
The canonical SMILES for 8-bromo-2,6-dimethylquinoline-4-carboxylic acid is Cc1cc(Br)c2nc(C)cc(C(=O)O)c2c1.
What is the InChIKey of 8-bromo-2,6-dimethylquinoline-4-carboxylic acid?
The InChIKey is ZYIRFPMFNZHPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2/c1-6-3-8-9(12(15)16)5-7(2)14-11(8)10(13)4-6/h3-5H,1-2H3,(H,15,16).
What are the key properties of 8-bromo-2,6-dimethylquinoline-4-carboxylic acid?
8-bromo-2,6-dimethylquinoline-4-carboxylic acid has a molecular weight of 280.12 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,6-dimethylquinoline-4-carboxylic acid is sourced from PubChem (CID 82184081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).