2,5-dibromo-8-methoxyquinoline

C10H7Br2NO — CID 102941160

IUPAC2,5-dibromo-8-methoxyquinoline
SMILESCOc1ccc(Br)c2ccc(Br)nc12
InChIInChI=1S/C10H7Br2NO/c1-14-8-4-3-7(11)6-2-5-9(12)13-10(6)8/h2-5H,1H3
InChIKeyHSBOTLIKKPBZST-UHFFFAOYSA-N
MW316.98 g/mol
LogP3.77
Rot. Bonds1

About 2,5-dibromo-8-methoxyquinoline

2,5-dibromo-8-methoxyquinoline (PubChem CID 102941160) has the molecular formula C10H7Br2NO and a molecular weight of 316.98 g/mol. Its IUPAC name is 2,5-dibromo-8-methoxyquinoline.

Molecular Properties

Compound Name2,5-dibromo-8-methoxyquinoline
PubChem CID102941160
Molecular FormulaC10H7Br2NO
Molecular Weight316.98 g/mol
Exact Mass314.89
IUPAC Name2,5-dibromo-8-methoxyquinoline
SMILESCOc1ccc(Br)c2ccc(Br)nc12
InChIInChI=1S/C10H7Br2NO/c1-14-8-4-3-7(11)6-2-5-9(12)13-10(6)8/h2-5H,1H3
InChIKeyHSBOTLIKKPBZST-UHFFFAOYSA-N
XLogP3.77
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.98
LogP ≤ 53.77
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 2,5-dibromo-8-methoxyquinoline?
The IUPAC name of 2,5-dibromo-8-methoxyquinoline (CID 102941160) is 2,5-dibromo-8-methoxyquinoline.
What is the SMILES notation for 2,5-dibromo-8-methoxyquinoline?
The canonical SMILES for 2,5-dibromo-8-methoxyquinoline is COc1ccc(Br)c2ccc(Br)nc12.
What is the InChIKey of 2,5-dibromo-8-methoxyquinoline?
The InChIKey is HSBOTLIKKPBZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2NO/c1-14-8-4-3-7(11)6-2-5-9(12)13-10(6)8/h2-5H,1H3.
What are the key properties of 2,5-dibromo-8-methoxyquinoline?
2,5-dibromo-8-methoxyquinoline has a molecular weight of 316.98 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-8-methoxyquinoline is sourced from PubChem (CID 102941160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).