4-(bromomethyl)-7,8-difluoro-2-methoxyquinoline

C11H8BrF2NO — CID 46864105

IUPAC4-(bromomethyl)-7,8-difluoro-2-methoxyquinoline
SMILESCOc1cc(CBr)c2ccc(F)c(F)c2n1
InChIInChI=1S/C11H8BrF2NO/c1-16-9-4-6(5-12)7-2-3-8(13)10(14)11(7)15-9/h2-4H,5H2,1H3
InChIKeyMWHQPTDUIIFKDU-UHFFFAOYSA-N
MW288.09 g/mol
LogP3.42
Rot. Bonds2

About 4-(bromomethyl)-7,8-difluoro-2-methoxyquinoline

4-(bromomethyl)-7,8-difluoro-2-methoxyquinoline (PubChem CID 46864105) has the molecular formula C11H8BrF2NO and a molecular weight of 288.09 g/mol. Its IUPAC name is 4-(bromomethyl)-7,8-difluoro-2-methoxyquinoline.

Molecular Properties

Compound Name4-(bromomethyl)-7,8-difluoro-2-methoxyquinoline
PubChem CID46864105
Molecular FormulaC11H8BrF2NO
Molecular Weight288.09 g/mol
Exact Mass286.98
IUPAC Name4-(bromomethyl)-7,8-difluoro-2-methoxyquinoline
SMILESCOc1cc(CBr)c2ccc(F)c(F)c2n1
InChIInChI=1S/C11H8BrF2NO/c1-16-9-4-6(5-12)7-2-3-8(13)10(14)11(7)15-9/h2-4H,5H2,1H3
InChIKeyMWHQPTDUIIFKDU-UHFFFAOYSA-N
XLogP3.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 53.42
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 4-(bromomethyl)-7,8-difluoro-2-methoxyquinoline?
The IUPAC name of 4-(bromomethyl)-7,8-difluoro-2-methoxyquinoline (CID 46864105) is 4-(bromomethyl)-7,8-difluoro-2-methoxyquinoline.
What is the SMILES notation for 4-(bromomethyl)-7,8-difluoro-2-methoxyquinoline?
The canonical SMILES for 4-(bromomethyl)-7,8-difluoro-2-methoxyquinoline is COc1cc(CBr)c2ccc(F)c(F)c2n1.
What is the InChIKey of 4-(bromomethyl)-7,8-difluoro-2-methoxyquinoline?
The InChIKey is MWHQPTDUIIFKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2NO/c1-16-9-4-6(5-12)7-2-3-8(13)10(14)11(7)15-9/h2-4H,5H2,1H3.
What are the key properties of 4-(bromomethyl)-7,8-difluoro-2-methoxyquinoline?
4-(bromomethyl)-7,8-difluoro-2-methoxyquinoline has a molecular weight of 288.09 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-7,8-difluoro-2-methoxyquinoline is sourced from PubChem (CID 46864105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).