4-bromo-2-chloroquinoline-3-carbaldehyde

C10H5BrClNO — CID 166721796

IUPAC4-bromo-2-chloroquinoline-3-carbaldehyde
SMILESO=Cc1c(Cl)nc2ccccc2c1Br
InChIInChI=1S/C10H5BrClNO/c11-9-6-3-1-2-4-8(6)13-10(12)7(9)5-14/h1-5H
InChIKeyJLEQUWXKTLCSIA-UHFFFAOYSA-N
MW270.51 g/mol
LogP3.46
Rot. Bonds1

About 4-bromo-2-chloroquinoline-3-carbaldehyde

4-bromo-2-chloroquinoline-3-carbaldehyde (PubChem CID 166721796) has the molecular formula C10H5BrClNO and a molecular weight of 270.51 g/mol. Its IUPAC name is 4-bromo-2-chloroquinoline-3-carbaldehyde.

Molecular Properties

Compound Name4-bromo-2-chloroquinoline-3-carbaldehyde
PubChem CID166721796
Molecular FormulaC10H5BrClNO
Molecular Weight270.51 g/mol
Exact Mass268.92
IUPAC Name4-bromo-2-chloroquinoline-3-carbaldehyde
SMILESO=Cc1c(Cl)nc2ccccc2c1Br
InChIInChI=1S/C10H5BrClNO/c11-9-6-3-1-2-4-8(6)13-10(12)7(9)5-14/h1-5H
InChIKeyJLEQUWXKTLCSIA-UHFFFAOYSA-N
XLogP3.46
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.51
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloroquinoline-3-carbaldehyde?
The IUPAC name of 4-bromo-2-chloroquinoline-3-carbaldehyde (CID 166721796) is 4-bromo-2-chloroquinoline-3-carbaldehyde.
What is the SMILES notation for 4-bromo-2-chloroquinoline-3-carbaldehyde?
The canonical SMILES for 4-bromo-2-chloroquinoline-3-carbaldehyde is O=Cc1c(Cl)nc2ccccc2c1Br.
What is the InChIKey of 4-bromo-2-chloroquinoline-3-carbaldehyde?
The InChIKey is JLEQUWXKTLCSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClNO/c11-9-6-3-1-2-4-8(6)13-10(12)7(9)5-14/h1-5H.
What are the key properties of 4-bromo-2-chloroquinoline-3-carbaldehyde?
4-bromo-2-chloroquinoline-3-carbaldehyde has a molecular weight of 270.51 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloroquinoline-3-carbaldehyde is sourced from PubChem (CID 166721796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).