2-(bromomethyl)-3-methoxyquinoline

C11H10BrNO — CID 22036938

IUPAC2-(bromomethyl)-3-methoxyquinoline
SMILESCOc1cc2ccccc2nc1CBr
InChIInChI=1S/C11H10BrNO/c1-14-11-6-8-4-2-3-5-9(8)13-10(11)7-12/h2-6H,7H2,1H3
InChIKeyYGYRRECQLMEYMN-UHFFFAOYSA-N
MW252.11 g/mol
LogP3.14
Rot. Bonds2

About 2-(bromomethyl)-3-methoxyquinoline

2-(bromomethyl)-3-methoxyquinoline (PubChem CID 22036938) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 2-(bromomethyl)-3-methoxyquinoline.

Molecular Properties

Compound Name2-(bromomethyl)-3-methoxyquinoline
PubChem CID22036938
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name2-(bromomethyl)-3-methoxyquinoline
SMILESCOc1cc2ccccc2nc1CBr
InChIInChI=1S/C11H10BrNO/c1-14-11-6-8-4-2-3-5-9(8)13-10(11)7-12/h2-6H,7H2,1H3
InChIKeyYGYRRECQLMEYMN-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
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 2-(bromomethyl)-3-methoxyquinoline?
The IUPAC name of 2-(bromomethyl)-3-methoxyquinoline (CID 22036938) is 2-(bromomethyl)-3-methoxyquinoline.
What is the SMILES notation for 2-(bromomethyl)-3-methoxyquinoline?
The canonical SMILES for 2-(bromomethyl)-3-methoxyquinoline is COc1cc2ccccc2nc1CBr.
What is the InChIKey of 2-(bromomethyl)-3-methoxyquinoline?
The InChIKey is YGYRRECQLMEYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-14-11-6-8-4-2-3-5-9(8)13-10(11)7-12/h2-6H,7H2,1H3.
What are the key properties of 2-(bromomethyl)-3-methoxyquinoline?
2-(bromomethyl)-3-methoxyquinoline has a molecular weight of 252.11 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-methoxyquinoline is sourced from PubChem (CID 22036938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).