3-bromo-2-chloroquinoline-4-carboxylic acid

C10H5BrClNO2 — CID 97180491

IUPAC3-bromo-2-chloroquinoline-4-carboxylic acid
SMILESO=C(O)c1c(Br)c(Cl)nc2ccccc12
InChIInChI=1S/C10H5BrClNO2/c11-8-7(10(14)15)5-3-1-2-4-6(5)13-9(8)12/h1-4H,(H,14,15)
InChIKeyAASGWEKMPGEOGZ-UHFFFAOYSA-N
MW286.51 g/mol
LogP3.35
Rot. Bonds1

About 3-bromo-2-chloroquinoline-4-carboxylic acid

3-bromo-2-chloroquinoline-4-carboxylic acid (PubChem CID 97180491) has the molecular formula C10H5BrClNO2 and a molecular weight of 286.51 g/mol. Its IUPAC name is 3-bromo-2-chloroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-bromo-2-chloroquinoline-4-carboxylic acid
PubChem CID97180491
Molecular FormulaC10H5BrClNO2
Molecular Weight286.51 g/mol
Exact Mass284.92
IUPAC Name3-bromo-2-chloroquinoline-4-carboxylic acid
SMILESO=C(O)c1c(Br)c(Cl)nc2ccccc12
InChIInChI=1S/C10H5BrClNO2/c11-8-7(10(14)15)5-3-1-2-4-6(5)13-9(8)12/h1-4H,(H,14,15)
InChIKeyAASGWEKMPGEOGZ-UHFFFAOYSA-N
XLogP3.35
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloroquinoline-4-carboxylic acid
CID 22158738
3-bromoquinoline-4-carboxylic acid
CID 119083564
2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
6-oxobenzo[c][1]benzazepine-11-carboxylic acid
CID 154239718
4-bromo-2-chloroquinoline-3-carbaldehyde
CID 166721796
benzo[b]phenazine-6,11-dicarboxylic acid
CID 154692279
5-bromo-6-chloro-2,4-dimethylpyridine-3-carboxylic acid
CID 83668119
benzo[a]acridine-12-carboxylic acid
CID 54569893
3-(carboxymethyl)-2-(4-chlorophenyl)quinoline-4-carboxylic acid
CID 4068247
2,4-dichloro-N-phenylquinoline-3-carboxamide
CID 2786668
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
3-(4-hydroxyphenyl)quinoline-2,4-dicarboxylic acid
CID 704860

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloroquinoline-4-carboxylic acid?
The IUPAC name of 3-bromo-2-chloroquinoline-4-carboxylic acid (CID 97180491) is 3-bromo-2-chloroquinoline-4-carboxylic acid.
What is the SMILES notation for 3-bromo-2-chloroquinoline-4-carboxylic acid?
The canonical SMILES for 3-bromo-2-chloroquinoline-4-carboxylic acid is O=C(O)c1c(Br)c(Cl)nc2ccccc12.
What is the InChIKey of 3-bromo-2-chloroquinoline-4-carboxylic acid?
The InChIKey is AASGWEKMPGEOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClNO2/c11-8-7(10(14)15)5-3-1-2-4-6(5)13-9(8)12/h1-4H,(H,14,15).
What are the key properties of 3-bromo-2-chloroquinoline-4-carboxylic acid?
3-bromo-2-chloroquinoline-4-carboxylic acid has a molecular weight of 286.51 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloroquinoline-4-carboxylic acid is sourced from PubChem (CID 97180491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).