6-bromo-4-chloro-2-methylquinoline

C10H7BrClN — CID 790326

IUPAC6-bromo-4-chloro-2-methylquinoline
SMILESCc1cc(Cl)c2cc(Br)ccc2n1
InChIInChI=1S/C10H7BrClN/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,1H3
InChIKeyOCNREXWJWVKEEB-UHFFFAOYSA-N
MW256.53 g/mol
LogP3.96
Rot. Bonds

About 6-bromo-4-chloro-2-methylquinoline

6-bromo-4-chloro-2-methylquinoline (PubChem CID 790326) has the molecular formula C10H7BrClN and a molecular weight of 256.53 g/mol. Its IUPAC name is 6-bromo-4-chloro-2-methylquinoline.

Molecular Properties

Compound Name6-bromo-4-chloro-2-methylquinoline
PubChem CID790326
Molecular FormulaC10H7BrClN
Molecular Weight256.53 g/mol
Exact Mass254.95
IUPAC Name6-bromo-4-chloro-2-methylquinoline
SMILESCc1cc(Cl)c2cc(Br)ccc2n1
InChIInChI=1S/C10H7BrClN/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,1H3
InChIKeyOCNREXWJWVKEEB-UHFFFAOYSA-N
XLogP3.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.53
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-2-methylquinoline?
The IUPAC name of 6-bromo-4-chloro-2-methylquinoline (CID 790326) is 6-bromo-4-chloro-2-methylquinoline.
What is the SMILES notation for 6-bromo-4-chloro-2-methylquinoline?
The canonical SMILES for 6-bromo-4-chloro-2-methylquinoline is Cc1cc(Cl)c2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-4-chloro-2-methylquinoline?
The InChIKey is OCNREXWJWVKEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,1H3.
What are the key properties of 6-bromo-4-chloro-2-methylquinoline?
6-bromo-4-chloro-2-methylquinoline has a molecular weight of 256.53 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-2-methylquinoline is sourced from PubChem (CID 790326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).