5-bromo-2-methylquinoline-4-carboxylic acid

C11H8BrNO2 — CID 16769159

IUPAC5-bromo-2-methylquinoline-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(Br)cccc2n1
InChIInChI=1S/C11H8BrNO2/c1-6-5-7(11(14)15)10-8(12)3-2-4-9(10)13-6/h2-5H,1H3,(H,14,15)
InChIKeyDCPYASDBSDKDGO-UHFFFAOYSA-N
MW266.09 g/mol
LogP3.00
Rot. Bonds1

About 5-bromo-2-methylquinoline-4-carboxylic acid

5-bromo-2-methylquinoline-4-carboxylic acid (PubChem CID 16769159) has the molecular formula C11H8BrNO2 and a molecular weight of 266.09 g/mol. Its IUPAC name is 5-bromo-2-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-methylquinoline-4-carboxylic acid
PubChem CID16769159
Molecular FormulaC11H8BrNO2
Molecular Weight266.09 g/mol
Exact Mass264.97
IUPAC Name5-bromo-2-methylquinoline-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(Br)cccc2n1
InChIInChI=1S/C11H8BrNO2/c1-6-5-7(11(14)15)10-8(12)3-2-4-9(10)13-6/h2-5H,1H3,(H,14,15)
InChIKeyDCPYASDBSDKDGO-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

Cinchophen
CID 8593
4-Quinolinecarboxylic acid
CID 10243
Mefloquine carboxylic acid
CID 169721
2-(4-Bromophenyl)quinoline-4-carboxylic acid
CID 230595
3-Methyl-2-phenylquinoline-4-carboxylic acid
CID 673710
6-Methyl-2-phenylquinoline-4-carboxylic acid
CID 698707
2-Methyl-3-quinolinecarboxylic acid
CID 1481999
2-([1,1'-Biphenyl]-4-yl)quinoline-4-carboxylic Acid
CID 2063288
Acridine-9-carboxylic acid
CID 94721
2-Chloroquinoline-4-carboxylic acid
CID 230582
2-(3-Bromophenyl)quinoline-4-carboxylic acid
CID 673699
2-(Naphthalen-1-yl)quinoline-4-carboxylic acid
CID 230606

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylquinoline-4-carboxylic acid?
The IUPAC name of 5-bromo-2-methylquinoline-4-carboxylic acid (CID 16769159) is 5-bromo-2-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 5-bromo-2-methylquinoline-4-carboxylic acid?
The canonical SMILES for 5-bromo-2-methylquinoline-4-carboxylic acid is Cc1cc(C(=O)O)c2c(Br)cccc2n1.
What is the InChIKey of 5-bromo-2-methylquinoline-4-carboxylic acid?
The InChIKey is DCPYASDBSDKDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2/c1-6-5-7(11(14)15)10-8(12)3-2-4-9(10)13-6/h2-5H,1H3,(H,14,15).
What are the key properties of 5-bromo-2-methylquinoline-4-carboxylic acid?
5-bromo-2-methylquinoline-4-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 5-bromo-2-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 16769159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).