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

C6H3BrF3N — CID 118839444

IUPAC4-bromo-5-(difluoromethyl)-2-fluoropyridine
SMILESFc1cc(Br)c(C(F)F)cn1
InChIInChI=1S/C6H3BrF3N/c7-4-1-5(8)11-2-3(4)6(9)10/h1-2,6H
InChIKeyGNGUIFCKRUBCDO-UHFFFAOYSA-N
MW226.00 g/mol
LogP2.92
Rot. Bonds1

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

4-bromo-5-(difluoromethyl)-2-fluoropyridine (PubChem CID 118839444) has the molecular formula C6H3BrF3N and a molecular weight of 226.00 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethyl)-2-fluoropyridine.

Molecular Properties

Compound Name4-bromo-5-(difluoromethyl)-2-fluoropyridine
PubChem CID118839444
Molecular FormulaC6H3BrF3N
Molecular Weight226.00 g/mol
Exact Mass224.94
IUPAC Name4-bromo-5-(difluoromethyl)-2-fluoropyridine
SMILESFc1cc(Br)c(C(F)F)cn1
InChIInChI=1S/C6H3BrF3N/c7-4-1-5(8)11-2-3(4)6(9)10/h1-2,6H
InChIKeyGNGUIFCKRUBCDO-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

5-bromo-4-(difluoromethyl)-2-fluoropyridine
CID 130095003
4-(chloromethyl)-5-(difluoromethyl)-2-fluoropyridine
CID 130096360
2,5-dibromo-4-(difluoromethyl)pyridine
CID 119009471
4-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 119084985
1-(4-bromo-6-fluoro-3-pyridinyl)pent-4-en-1-amine
CID 164548689
5-(difluoromethyl)-2-fluoropyridine-4-sulfonyl chloride
CID 130096580
4-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 118846246
3-(difluoromethyl)-2,5-difluoropyridine
CID 70480194
4-(difluoromethyl)-2-fluoro-5-nitropyridine
CID 130096275
6-bromo-3-(difluoromethyl)-5-fluoropyridine-2-sulfonamide
CID 118995452
4-bromo-3-(difluoromethyl)-2,6-difluoropyridine
CID 118806244
4-bromo-5-(difluoromethyl)-2-fluorophenol
CID 119008517

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethyl)-2-fluoropyridine?
The IUPAC name of 4-bromo-5-(difluoromethyl)-2-fluoropyridine (CID 118839444) is 4-bromo-5-(difluoromethyl)-2-fluoropyridine.
What is the SMILES notation for 4-bromo-5-(difluoromethyl)-2-fluoropyridine?
The canonical SMILES for 4-bromo-5-(difluoromethyl)-2-fluoropyridine is Fc1cc(Br)c(C(F)F)cn1.
What is the InChIKey of 4-bromo-5-(difluoromethyl)-2-fluoropyridine?
The InChIKey is GNGUIFCKRUBCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF3N/c7-4-1-5(8)11-2-3(4)6(9)10/h1-2,6H.
What are the key properties of 4-bromo-5-(difluoromethyl)-2-fluoropyridine?
4-bromo-5-(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 4-bromo-5-(difluoromethyl)-2-fluoropyridine is sourced from PubChem (CID 118839444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).