6-bromo-4-chloro-7-methoxyquinoline

C10H7BrClNO — CID 22931326

IUPAC6-bromo-4-chloro-7-methoxyquinoline
SMILESCOc1cc2nccc(Cl)c2cc1Br
InChIInChI=1S/C10H7BrClNO/c1-14-10-5-9-6(4-7(10)11)8(12)2-3-13-9/h2-5H,1H3
InChIKeyUZQYUZCQWPAWIL-UHFFFAOYSA-N
MW272.53 g/mol
LogP3.66
Rot. Bonds1

About 6-bromo-4-chloro-7-methoxyquinoline

6-bromo-4-chloro-7-methoxyquinoline (PubChem CID 22931326) has the molecular formula C10H7BrClNO and a molecular weight of 272.53 g/mol. Its IUPAC name is 6-bromo-4-chloro-7-methoxyquinoline.

Molecular Properties

Compound Name6-bromo-4-chloro-7-methoxyquinoline
PubChem CID22931326
Molecular FormulaC10H7BrClNO
Molecular Weight272.53 g/mol
Exact Mass270.94
IUPAC Name6-bromo-4-chloro-7-methoxyquinoline
SMILESCOc1cc2nccc(Cl)c2cc1Br
InChIInChI=1S/C10H7BrClNO/c1-14-10-5-9-6(4-7(10)11)8(12)2-3-13-9/h2-5H,1H3
InChIKeyUZQYUZCQWPAWIL-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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-7-methoxyquinoline?
The IUPAC name of 6-bromo-4-chloro-7-methoxyquinoline (CID 22931326) is 6-bromo-4-chloro-7-methoxyquinoline.
What is the SMILES notation for 6-bromo-4-chloro-7-methoxyquinoline?
The canonical SMILES for 6-bromo-4-chloro-7-methoxyquinoline is COc1cc2nccc(Cl)c2cc1Br.
What is the InChIKey of 6-bromo-4-chloro-7-methoxyquinoline?
The InChIKey is UZQYUZCQWPAWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNO/c1-14-10-5-9-6(4-7(10)11)8(12)2-3-13-9/h2-5H,1H3.
What are the key properties of 6-bromo-4-chloro-7-methoxyquinoline?
6-bromo-4-chloro-7-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 6-bromo-4-chloro-7-methoxyquinoline is sourced from PubChem (CID 22931326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).