5-bromo-2-chloro-6-methoxyquinoline

C10H7BrClNO — CID 22139688

IUPAC5-bromo-2-chloro-6-methoxyquinoline
SMILESCOc1ccc2nc(Cl)ccc2c1Br
InChIInChI=1S/C10H7BrClNO/c1-14-8-4-3-7-6(10(8)11)2-5-9(12)13-7/h2-5H,1H3
InChIKeyZYURLHXGBCKVLU-UHFFFAOYSA-N
MW272.53 g/mol
LogP3.66
Rot. Bonds1

About 5-bromo-2-chloro-6-methoxyquinoline

5-bromo-2-chloro-6-methoxyquinoline (PubChem CID 22139688) has the molecular formula C10H7BrClNO and a molecular weight of 272.53 g/mol. Its IUPAC name is 5-bromo-2-chloro-6-methoxyquinoline.

Molecular Properties

Compound Name5-bromo-2-chloro-6-methoxyquinoline
PubChem CID22139688
Molecular FormulaC10H7BrClNO
Molecular Weight272.53 g/mol
Exact Mass270.94
IUPAC Name5-bromo-2-chloro-6-methoxyquinoline
SMILESCOc1ccc2nc(Cl)ccc2c1Br
InChIInChI=1S/C10H7BrClNO/c1-14-8-4-3-7-6(10(8)11)2-5-9(12)13-7/h2-5H,1H3
InChIKeyZYURLHXGBCKVLU-UHFFFAOYSA-N
XLogP3.66
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-bromo-2-chloro-6-methoxyquinoline?
The IUPAC name of 5-bromo-2-chloro-6-methoxyquinoline (CID 22139688) is 5-bromo-2-chloro-6-methoxyquinoline.
What is the SMILES notation for 5-bromo-2-chloro-6-methoxyquinoline?
The canonical SMILES for 5-bromo-2-chloro-6-methoxyquinoline is COc1ccc2nc(Cl)ccc2c1Br.
What is the InChIKey of 5-bromo-2-chloro-6-methoxyquinoline?
The InChIKey is ZYURLHXGBCKVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNO/c1-14-8-4-3-7-6(10(8)11)2-5-9(12)13-7/h2-5H,1H3.
What are the key properties of 5-bromo-2-chloro-6-methoxyquinoline?
5-bromo-2-chloro-6-methoxyquinoline has a molecular weight of 272.53 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-6-methoxyquinoline is sourced from PubChem (CID 22139688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).