5-bromo-4-methylquinoline

C10H8BrN — CID 70700958

IUPAC5-bromo-4-methylquinoline
SMILESCc1ccnc2cccc(Br)c12
InChIInChI=1S/C10H8BrN/c1-7-5-6-12-9-4-2-3-8(11)10(7)9/h2-6H,1H3
InChIKeyOSAOJIZGLNLUPW-UHFFFAOYSA-N
MW222.09 g/mol
LogP3.31
Rot. Bonds

About 5-bromo-4-methylquinoline

5-bromo-4-methylquinoline (PubChem CID 70700958) has the molecular formula C10H8BrN and a molecular weight of 222.09 g/mol. Its IUPAC name is 5-bromo-4-methylquinoline.

Molecular Properties

Compound Name5-bromo-4-methylquinoline
PubChem CID70700958
Molecular FormulaC10H8BrN
Molecular Weight222.09 g/mol
Exact Mass220.98
IUPAC Name5-bromo-4-methylquinoline
SMILESCc1ccnc2cccc(Br)c12
InChIInChI=1S/C10H8BrN/c1-7-5-6-12-9-4-2-3-8(11)10(7)9/h2-6H,1H3
InChIKeyOSAOJIZGLNLUPW-UHFFFAOYSA-N
XLogP3.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methylquinoline?
The IUPAC name of 5-bromo-4-methylquinoline (CID 70700958) is 5-bromo-4-methylquinoline.
What is the SMILES notation for 5-bromo-4-methylquinoline?
The canonical SMILES for 5-bromo-4-methylquinoline is Cc1ccnc2cccc(Br)c12.
What is the InChIKey of 5-bromo-4-methylquinoline?
The InChIKey is OSAOJIZGLNLUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN/c1-7-5-6-12-9-4-2-3-8(11)10(7)9/h2-6H,1H3.
What are the key properties of 5-bromo-4-methylquinoline?
5-bromo-4-methylquinoline has a molecular weight of 222.09 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methylquinoline is sourced from PubChem (CID 70700958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).