2-bromo-4-ethoxyquinoline

C11H10BrNO — CID 824618

IUPAC2-bromo-4-ethoxyquinoline
SMILESCCOc1cc(Br)nc2ccccc12
InChIInChI=1S/C11H10BrNO/c1-2-14-10-7-11(12)13-9-6-4-3-5-8(9)10/h3-7H,2H2,1H3
InChIKeyWSKHKGPJYFSDIE-UHFFFAOYSA-N
MW252.11 g/mol
LogP3.40
Rot. Bonds2

About 2-bromo-4-ethoxyquinoline

2-bromo-4-ethoxyquinoline (PubChem CID 824618) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 2-bromo-4-ethoxyquinoline.

Molecular Properties

Compound Name2-bromo-4-ethoxyquinoline
PubChem CID824618
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name2-bromo-4-ethoxyquinoline
SMILESCCOc1cc(Br)nc2ccccc12
InChIInChI=1S/C11H10BrNO/c1-2-14-10-7-11(12)13-9-6-4-3-5-8(9)10/h3-7H,2H2,1H3
InChIKeyWSKHKGPJYFSDIE-UHFFFAOYSA-N
XLogP3.40
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethoxyquinoline?
The IUPAC name of 2-bromo-4-ethoxyquinoline (CID 824618) is 2-bromo-4-ethoxyquinoline.
What is the SMILES notation for 2-bromo-4-ethoxyquinoline?
The canonical SMILES for 2-bromo-4-ethoxyquinoline is CCOc1cc(Br)nc2ccccc12.
What is the InChIKey of 2-bromo-4-ethoxyquinoline?
The InChIKey is WSKHKGPJYFSDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-2-14-10-7-11(12)13-9-6-4-3-5-8(9)10/h3-7H,2H2,1H3.
What are the key properties of 2-bromo-4-ethoxyquinoline?
2-bromo-4-ethoxyquinoline has a molecular weight of 252.11 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-ethoxyquinoline is sourced from PubChem (CID 824618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).