4-bromo-7-chloroquinoline-3-carboxylic acid

C10H5BrClNO2 — CID 97033495

IUPAC4-bromo-7-chloroquinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2cc(Cl)ccc2c1Br
InChIInChI=1S/C10H5BrClNO2/c11-9-6-2-1-5(12)3-8(6)13-4-7(9)10(14)15/h1-4H,(H,14,15)
InChIKeyWSOOOOQERPPPGL-UHFFFAOYSA-N
MW286.51 g/mol
LogP3.35
Rot. Bonds1

About 4-bromo-7-chloroquinoline-3-carboxylic acid

4-bromo-7-chloroquinoline-3-carboxylic acid (PubChem CID 97033495) has the molecular formula C10H5BrClNO2 and a molecular weight of 286.51 g/mol. Its IUPAC name is 4-bromo-7-chloroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-bromo-7-chloroquinoline-3-carboxylic acid
PubChem CID97033495
Molecular FormulaC10H5BrClNO2
Molecular Weight286.51 g/mol
Exact Mass284.92
IUPAC Name4-bromo-7-chloroquinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2cc(Cl)ccc2c1Br
InChIInChI=1S/C10H5BrClNO2/c11-9-6-2-1-5(12)3-8(6)13-4-7(9)10(14)15/h1-4H,(H,14,15)
InChIKeyWSOOOOQERPPPGL-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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-chloroquinoline-3-carboxylic acid?
The IUPAC name of 4-bromo-7-chloroquinoline-3-carboxylic acid (CID 97033495) is 4-bromo-7-chloroquinoline-3-carboxylic acid.
What is the SMILES notation for 4-bromo-7-chloroquinoline-3-carboxylic acid?
The canonical SMILES for 4-bromo-7-chloroquinoline-3-carboxylic acid is O=C(O)c1cnc2cc(Cl)ccc2c1Br.
What is the InChIKey of 4-bromo-7-chloroquinoline-3-carboxylic acid?
The InChIKey is WSOOOOQERPPPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClNO2/c11-9-6-2-1-5(12)3-8(6)13-4-7(9)10(14)15/h1-4H,(H,14,15).
What are the key properties of 4-bromo-7-chloroquinoline-3-carboxylic acid?
4-bromo-7-chloroquinoline-3-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 4-bromo-7-chloroquinoline-3-carboxylic acid is sourced from PubChem (CID 97033495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).