2-bromo-5-(difluoromethyl)-3-fluoropyridine

C6H3BrF3N — CID 119021158

IUPAC2-bromo-5-(difluoromethyl)-3-fluoropyridine
SMILESFc1cc(C(F)F)cnc1Br
InChIInChI=1S/C6H3BrF3N/c7-5-4(8)1-3(2-11-5)6(9)10/h1-2,6H
InChIKeyOPIDABHCAIVKQW-UHFFFAOYSA-N
MW226.00 g/mol
LogP2.92
Rot. Bonds1

About 2-bromo-5-(difluoromethyl)-3-fluoropyridine

2-bromo-5-(difluoromethyl)-3-fluoropyridine (PubChem CID 119021158) has the molecular formula C6H3BrF3N and a molecular weight of 226.00 g/mol. Its IUPAC name is 2-bromo-5-(difluoromethyl)-3-fluoropyridine.

Molecular Properties

Compound Name2-bromo-5-(difluoromethyl)-3-fluoropyridine
PubChem CID119021158
Molecular FormulaC6H3BrF3N
Molecular Weight226.00 g/mol
Exact Mass224.94
IUPAC Name2-bromo-5-(difluoromethyl)-3-fluoropyridine
SMILESFc1cc(C(F)F)cnc1Br
InChIInChI=1S/C6H3BrF3N/c7-5-4(8)1-3(2-11-5)6(9)10/h1-2,6H
InChIKeyOPIDABHCAIVKQW-UHFFFAOYSA-N
XLogP2.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.00
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-bromo-5-(difluoromethyl)-3-fluoropyridine?
The IUPAC name of 2-bromo-5-(difluoromethyl)-3-fluoropyridine (CID 119021158) is 2-bromo-5-(difluoromethyl)-3-fluoropyridine.
What is the SMILES notation for 2-bromo-5-(difluoromethyl)-3-fluoropyridine?
The canonical SMILES for 2-bromo-5-(difluoromethyl)-3-fluoropyridine is Fc1cc(C(F)F)cnc1Br.
What is the InChIKey of 2-bromo-5-(difluoromethyl)-3-fluoropyridine?
The InChIKey is OPIDABHCAIVKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF3N/c7-5-4(8)1-3(2-11-5)6(9)10/h1-2,6H.
What are the key properties of 2-bromo-5-(difluoromethyl)-3-fluoropyridine?
2-bromo-5-(difluoromethyl)-3-fluoropyridine has a molecular weight of 226.00 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(difluoromethyl)-3-fluoropyridine is sourced from PubChem (CID 119021158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).