5-bromo-4-(difluoromethyl)-2-fluoropyridine

C6H3BrF3N — CID 130095003

IUPAC5-bromo-4-(difluoromethyl)-2-fluoropyridine
SMILESFc1cc(C(F)F)c(Br)cn1
InChIInChI=1S/C6H3BrF3N/c7-4-2-11-5(8)1-3(4)6(9)10/h1-2,6H
InChIKeyKHWPHFICUQEWIP-UHFFFAOYSA-N
MW226.00 g/mol
LogP2.92
Rot. Bonds1

About 5-bromo-4-(difluoromethyl)-2-fluoropyridine

5-bromo-4-(difluoromethyl)-2-fluoropyridine (PubChem CID 130095003) has the molecular formula C6H3BrF3N and a molecular weight of 226.00 g/mol. Its IUPAC name is 5-bromo-4-(difluoromethyl)-2-fluoropyridine.

Molecular Properties

Compound Name5-bromo-4-(difluoromethyl)-2-fluoropyridine
PubChem CID130095003
Molecular FormulaC6H3BrF3N
Molecular Weight226.00 g/mol
Exact Mass224.94
IUPAC Name5-bromo-4-(difluoromethyl)-2-fluoropyridine
SMILESFc1cc(C(F)F)c(Br)cn1
InChIInChI=1S/C6H3BrF3N/c7-4-2-11-5(8)1-3(4)6(9)10/h1-2,6H
InChIKeyKHWPHFICUQEWIP-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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Related Compounds

4-bromo-5-(difluoromethyl)-2-fluoropyridine
CID 118839444
2,5-dibromo-4-(difluoromethyl)pyridine
CID 119009471
5-bromo-4-(difluoromethyl)pyridine-2-carboxylic acid
CID 130095227
4-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 119084985
4-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 118846246
4-(difluoromethyl)-2-fluoro-5-nitropyridine
CID 130096275
4-(chloromethyl)-5-(difluoromethyl)-2-fluoropyridine
CID 130096360
5-(difluoromethyl)-2-fluoropyridine-4-sulfonyl chloride
CID 130096580
magnesium;5-bromo-2-fluoropyridine-4-carbaldehyde;1-(5-bromo-2-fluoro-4-pyridinyl)ethanol;carbanide;hydride;hydrobromide
CID 161039527
2-bromo-4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine
CID 130109578
5-bromo-3-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride
CID 130109884
4-bromo-5-(difluoromethyl)-2-fluorophenol
CID 119008517

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(difluoromethyl)-2-fluoropyridine?
The IUPAC name of 5-bromo-4-(difluoromethyl)-2-fluoropyridine (CID 130095003) is 5-bromo-4-(difluoromethyl)-2-fluoropyridine.
What is the SMILES notation for 5-bromo-4-(difluoromethyl)-2-fluoropyridine?
The canonical SMILES for 5-bromo-4-(difluoromethyl)-2-fluoropyridine is Fc1cc(C(F)F)c(Br)cn1.
What is the InChIKey of 5-bromo-4-(difluoromethyl)-2-fluoropyridine?
The InChIKey is KHWPHFICUQEWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF3N/c7-4-2-11-5(8)1-3(4)6(9)10/h1-2,6H.
What are the key properties of 5-bromo-4-(difluoromethyl)-2-fluoropyridine?
5-bromo-4-(difluoromethyl)-2-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 5-bromo-4-(difluoromethyl)-2-fluoropyridine is sourced from PubChem (CID 130095003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).