6-bromo-2-chloroquinoline-3-carbaldehyde

C10H5BrClNO — CID 11437167

IUPAC6-bromo-2-chloroquinoline-3-carbaldehyde
SMILESO=Cc1cc2cc(Br)ccc2nc1Cl
InChIInChI=1S/C10H5BrClNO/c11-8-1-2-9-6(4-8)3-7(5-14)10(12)13-9/h1-5H
InChIKeyDCZCMZVZWKXJAF-UHFFFAOYSA-N
MW270.51 g/mol
LogP3.46
Rot. Bonds1

About 6-bromo-2-chloroquinoline-3-carbaldehyde

6-bromo-2-chloroquinoline-3-carbaldehyde (PubChem CID 11437167) has the molecular formula C10H5BrClNO and a molecular weight of 270.51 g/mol. Its IUPAC name is 6-bromo-2-chloroquinoline-3-carbaldehyde.

Molecular Properties

Compound Name6-bromo-2-chloroquinoline-3-carbaldehyde
PubChem CID11437167
Molecular FormulaC10H5BrClNO
Molecular Weight270.51 g/mol
Exact Mass268.92
IUPAC Name6-bromo-2-chloroquinoline-3-carbaldehyde
SMILESO=Cc1cc2cc(Br)ccc2nc1Cl
InChIInChI=1S/C10H5BrClNO/c11-8-1-2-9-6(4-8)3-7(5-14)10(12)13-9/h1-5H
InChIKeyDCZCMZVZWKXJAF-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 6-bromo-2-chloroquinoline-3-carbaldehyde?
The IUPAC name of 6-bromo-2-chloroquinoline-3-carbaldehyde (CID 11437167) is 6-bromo-2-chloroquinoline-3-carbaldehyde.
What is the SMILES notation for 6-bromo-2-chloroquinoline-3-carbaldehyde?
The canonical SMILES for 6-bromo-2-chloroquinoline-3-carbaldehyde is O=Cc1cc2cc(Br)ccc2nc1Cl.
What is the InChIKey of 6-bromo-2-chloroquinoline-3-carbaldehyde?
The InChIKey is DCZCMZVZWKXJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClNO/c11-8-1-2-9-6(4-8)3-7(5-14)10(12)13-9/h1-5H.
What are the key properties of 6-bromo-2-chloroquinoline-3-carbaldehyde?
6-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 6-bromo-2-chloroquinoline-3-carbaldehyde is sourced from PubChem (CID 11437167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).