7-bromo-8-(bromomethyl)-2-methoxyquinoline

C11H9Br2NO — CID 67131056

IUPAC7-bromo-8-(bromomethyl)-2-methoxyquinoline
SMILESCOc1ccc2ccc(Br)c(CBr)c2n1
InChIInChI=1S/C11H9Br2NO/c1-15-10-5-3-7-2-4-9(13)8(6-12)11(7)14-10/h2-5H,6H2,1H3
InChIKeyIXSMPJMSSOYKLR-UHFFFAOYSA-N
MW331.01 g/mol
LogP3.90
Rot. Bonds2

About 7-bromo-8-(bromomethyl)-2-methoxyquinoline

7-bromo-8-(bromomethyl)-2-methoxyquinoline (PubChem CID 67131056) has the molecular formula C11H9Br2NO and a molecular weight of 331.01 g/mol. Its IUPAC name is 7-bromo-8-(bromomethyl)-2-methoxyquinoline.

Molecular Properties

Compound Name7-bromo-8-(bromomethyl)-2-methoxyquinoline
PubChem CID67131056
Molecular FormulaC11H9Br2NO
Molecular Weight331.01 g/mol
Exact Mass328.91
IUPAC Name7-bromo-8-(bromomethyl)-2-methoxyquinoline
SMILESCOc1ccc2ccc(Br)c(CBr)c2n1
InChIInChI=1S/C11H9Br2NO/c1-15-10-5-3-7-2-4-9(13)8(6-12)11(7)14-10/h2-5H,6H2,1H3
InChIKeyIXSMPJMSSOYKLR-UHFFFAOYSA-N
XLogP3.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.01
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-8-(bromomethyl)-2-methoxyquinoline?
The IUPAC name of 7-bromo-8-(bromomethyl)-2-methoxyquinoline (CID 67131056) is 7-bromo-8-(bromomethyl)-2-methoxyquinoline.
What is the SMILES notation for 7-bromo-8-(bromomethyl)-2-methoxyquinoline?
The canonical SMILES for 7-bromo-8-(bromomethyl)-2-methoxyquinoline is COc1ccc2ccc(Br)c(CBr)c2n1.
What is the InChIKey of 7-bromo-8-(bromomethyl)-2-methoxyquinoline?
The InChIKey is IXSMPJMSSOYKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2NO/c1-15-10-5-3-7-2-4-9(13)8(6-12)11(7)14-10/h2-5H,6H2,1H3.
What are the key properties of 7-bromo-8-(bromomethyl)-2-methoxyquinoline?
7-bromo-8-(bromomethyl)-2-methoxyquinoline has a molecular weight of 331.01 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-8-(bromomethyl)-2-methoxyquinoline is sourced from PubChem (CID 67131056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).