2-bromo-4-chloro-6,7-dimethoxyquinoline

C11H9BrClNO2 — CID 139329626

IUPAC2-bromo-4-chloro-6,7-dimethoxyquinoline
SMILESCOc1cc2nc(Br)cc(Cl)c2cc1OC
InChIInChI=1S/C11H9BrClNO2/c1-15-9-3-6-7(13)4-11(12)14-8(6)5-10(9)16-2/h3-5H,1-2H3
InChIKeyJZBPWGZCDBVJFM-UHFFFAOYSA-N
MW302.56 g/mol
LogP3.67
Rot. Bonds2

About 2-bromo-4-chloro-6,7-dimethoxyquinoline

2-bromo-4-chloro-6,7-dimethoxyquinoline (PubChem CID 139329626) has the molecular formula C11H9BrClNO2 and a molecular weight of 302.56 g/mol. Its IUPAC name is 2-bromo-4-chloro-6,7-dimethoxyquinoline.

Molecular Properties

Compound Name2-bromo-4-chloro-6,7-dimethoxyquinoline
PubChem CID139329626
Molecular FormulaC11H9BrClNO2
Molecular Weight302.56 g/mol
Exact Mass300.95
IUPAC Name2-bromo-4-chloro-6,7-dimethoxyquinoline
SMILESCOc1cc2nc(Br)cc(Cl)c2cc1OC
InChIInChI=1S/C11H9BrClNO2/c1-15-9-3-6-7(13)4-11(12)14-8(6)5-10(9)16-2/h3-5H,1-2H3
InChIKeyJZBPWGZCDBVJFM-UHFFFAOYSA-N
XLogP3.67
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-bromo-4-chloro-6,7-dimethoxyquinoline?
The IUPAC name of 2-bromo-4-chloro-6,7-dimethoxyquinoline (CID 139329626) is 2-bromo-4-chloro-6,7-dimethoxyquinoline.
What is the SMILES notation for 2-bromo-4-chloro-6,7-dimethoxyquinoline?
The canonical SMILES for 2-bromo-4-chloro-6,7-dimethoxyquinoline is COc1cc2nc(Br)cc(Cl)c2cc1OC.
What is the InChIKey of 2-bromo-4-chloro-6,7-dimethoxyquinoline?
The InChIKey is JZBPWGZCDBVJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO2/c1-15-9-3-6-7(13)4-11(12)14-8(6)5-10(9)16-2/h3-5H,1-2H3.
What are the key properties of 2-bromo-4-chloro-6,7-dimethoxyquinoline?
2-bromo-4-chloro-6,7-dimethoxyquinoline has a molecular weight of 302.56 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-6,7-dimethoxyquinoline is sourced from PubChem (CID 139329626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).