2-bromo-3-methylquinoline

C10H8BrN — CID 1236665

IUPAC2-bromo-3-methylquinoline
SMILESCc1cc2ccccc2nc1Br
InChIInChI=1S/C10H8BrN/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h2-6H,1H3
InChIKeyZKZHWAJZNZJAKV-UHFFFAOYSA-N
MW222.09 g/mol
LogP3.31
Rot. Bonds

About 2-bromo-3-methylquinoline

2-bromo-3-methylquinoline (PubChem CID 1236665) has the molecular formula C10H8BrN and a molecular weight of 222.09 g/mol. Its IUPAC name is 2-bromo-3-methylquinoline.

Molecular Properties

Compound Name2-bromo-3-methylquinoline
PubChem CID1236665
Molecular FormulaC10H8BrN
Molecular Weight222.09 g/mol
Exact Mass220.98
IUPAC Name2-bromo-3-methylquinoline
SMILESCc1cc2ccccc2nc1Br
InChIInChI=1S/C10H8BrN/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h2-6H,1H3
InChIKeyZKZHWAJZNZJAKV-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

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-3-methylquinoline?
The IUPAC name of 2-bromo-3-methylquinoline (CID 1236665) is 2-bromo-3-methylquinoline.
What is the SMILES notation for 2-bromo-3-methylquinoline?
The canonical SMILES for 2-bromo-3-methylquinoline is Cc1cc2ccccc2nc1Br.
What is the InChIKey of 2-bromo-3-methylquinoline?
The InChIKey is ZKZHWAJZNZJAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h2-6H,1H3.
What are the key properties of 2-bromo-3-methylquinoline?
2-bromo-3-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 2-bromo-3-methylquinoline is sourced from PubChem (CID 1236665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).