3-bromo-2-chloroquinoline

C9H5BrClN — CID 11218736

IUPAC3-bromo-2-chloroquinoline
SMILESClc1nc2ccccc2cc1Br
InChIInChI=1S/C9H5BrClN/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H
InChIKeyRWWUFTQVKMNRQN-UHFFFAOYSA-N
MW242.50 g/mol
LogP3.65
Rot. Bonds

About 3-bromo-2-chloroquinoline

3-bromo-2-chloroquinoline (PubChem CID 11218736) has the molecular formula C9H5BrClN and a molecular weight of 242.50 g/mol. Its IUPAC name is 3-bromo-2-chloroquinoline.

Molecular Properties

Compound Name3-bromo-2-chloroquinoline
PubChem CID11218736
Molecular FormulaC9H5BrClN
Molecular Weight242.50 g/mol
Exact Mass240.93
IUPAC Name3-bromo-2-chloroquinoline
SMILESClc1nc2ccccc2cc1Br
InChIInChI=1S/C9H5BrClN/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H
InChIKeyRWWUFTQVKMNRQN-UHFFFAOYSA-N
XLogP3.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.50
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloroquinoline?
The IUPAC name of 3-bromo-2-chloroquinoline (CID 11218736) is 3-bromo-2-chloroquinoline.
What is the SMILES notation for 3-bromo-2-chloroquinoline?
The canonical SMILES for 3-bromo-2-chloroquinoline is Clc1nc2ccccc2cc1Br.
What is the InChIKey of 3-bromo-2-chloroquinoline?
The InChIKey is RWWUFTQVKMNRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClN/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H.
What are the key properties of 3-bromo-2-chloroquinoline?
3-bromo-2-chloroquinoline has a molecular weight of 242.50 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloroquinoline is sourced from PubChem (CID 11218736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).