6-bromo-2-(difluoromethyl)-3-methoxypyridine

C7H6BrF2NO — CID 130095054

IUPAC6-bromo-2-(difluoromethyl)-3-methoxypyridine
SMILESCOc1ccc(Br)nc1C(F)F
InChIInChI=1S/C7H6BrF2NO/c1-12-4-2-3-5(8)11-6(4)7(9)10/h2-3,7H,1H3
InChIKeyBDIJVMCYJPOUOD-UHFFFAOYSA-N
MW238.03 g/mol
LogP2.79
Rot. Bonds2

About 6-bromo-2-(difluoromethyl)-3-methoxypyridine

6-bromo-2-(difluoromethyl)-3-methoxypyridine (PubChem CID 130095054) has the molecular formula C7H6BrF2NO and a molecular weight of 238.03 g/mol. Its IUPAC name is 6-bromo-2-(difluoromethyl)-3-methoxypyridine.

Molecular Properties

Compound Name6-bromo-2-(difluoromethyl)-3-methoxypyridine
PubChem CID130095054
Molecular FormulaC7H6BrF2NO
Molecular Weight238.03 g/mol
Exact Mass236.96
IUPAC Name6-bromo-2-(difluoromethyl)-3-methoxypyridine
SMILESCOc1ccc(Br)nc1C(F)F
InChIInChI=1S/C7H6BrF2NO/c1-12-4-2-3-5(8)11-6(4)7(9)10/h2-3,7H,1H3
InChIKeyBDIJVMCYJPOUOD-UHFFFAOYSA-N
XLogP2.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.03
LogP ≤ 52.79
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 6-bromo-2-(difluoromethyl)-3-methoxypyridine?
The IUPAC name of 6-bromo-2-(difluoromethyl)-3-methoxypyridine (CID 130095054) is 6-bromo-2-(difluoromethyl)-3-methoxypyridine.
What is the SMILES notation for 6-bromo-2-(difluoromethyl)-3-methoxypyridine?
The canonical SMILES for 6-bromo-2-(difluoromethyl)-3-methoxypyridine is COc1ccc(Br)nc1C(F)F.
What is the InChIKey of 6-bromo-2-(difluoromethyl)-3-methoxypyridine?
The InChIKey is BDIJVMCYJPOUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO/c1-12-4-2-3-5(8)11-6(4)7(9)10/h2-3,7H,1H3.
What are the key properties of 6-bromo-2-(difluoromethyl)-3-methoxypyridine?
6-bromo-2-(difluoromethyl)-3-methoxypyridine has a molecular weight of 238.03 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(difluoromethyl)-3-methoxypyridine is sourced from PubChem (CID 130095054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).