4-bromo-3-(difluoromethyl)-2,6-difluoropyridine

C6H2BrF4N — CID 118806244

IUPAC4-bromo-3-(difluoromethyl)-2,6-difluoropyridine
SMILESFc1cc(Br)c(C(F)F)c(F)n1
InChIInChI=1S/C6H2BrF4N/c7-2-1-3(8)12-6(11)4(2)5(9)10/h1,5H
InChIKeyKOEDSRBCBNBLLH-UHFFFAOYSA-N
MW243.98 g/mol
LogP3.06
Rot. Bonds1

About 4-bromo-3-(difluoromethyl)-2,6-difluoropyridine

4-bromo-3-(difluoromethyl)-2,6-difluoropyridine (PubChem CID 118806244) has the molecular formula C6H2BrF4N and a molecular weight of 243.98 g/mol. Its IUPAC name is 4-bromo-3-(difluoromethyl)-2,6-difluoropyridine.

Molecular Properties

Compound Name4-bromo-3-(difluoromethyl)-2,6-difluoropyridine
PubChem CID118806244
Molecular FormulaC6H2BrF4N
Molecular Weight243.98 g/mol
Exact Mass242.93
IUPAC Name4-bromo-3-(difluoromethyl)-2,6-difluoropyridine
SMILESFc1cc(Br)c(C(F)F)c(F)n1
InChIInChI=1S/C6H2BrF4N/c7-2-1-3(8)12-6(11)4(2)5(9)10/h1,5H
InChIKeyKOEDSRBCBNBLLH-UHFFFAOYSA-N
XLogP3.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.98
LogP ≤ 53.06
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

2,4-dibromo-3-(difluoromethyl)-6-fluoropyridine
CID 118998950
3-(difluoromethyl)-2,4,6-trifluoropyridine
CID 130088806
[4-bromo-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine
CID 118803186
[4-bromo-5-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol
CID 118838629
4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride
CID 118800727
4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
CID 118806357
2-bromo-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide
CID 118996815
2-bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine
CID 119005806
4-bromo-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 118832955
4-bromo-5-(difluoromethyl)-2-fluoropyridine
CID 118839444
6-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carboxylic acid
CID 130109726
4-bromo-2-(difluoromethyl)-6-fluoropyridine-3-sulfonyl chloride
CID 118799821

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(difluoromethyl)-2,6-difluoropyridine?
The IUPAC name of 4-bromo-3-(difluoromethyl)-2,6-difluoropyridine (CID 118806244) is 4-bromo-3-(difluoromethyl)-2,6-difluoropyridine.
What is the SMILES notation for 4-bromo-3-(difluoromethyl)-2,6-difluoropyridine?
The canonical SMILES for 4-bromo-3-(difluoromethyl)-2,6-difluoropyridine is Fc1cc(Br)c(C(F)F)c(F)n1.
What is the InChIKey of 4-bromo-3-(difluoromethyl)-2,6-difluoropyridine?
The InChIKey is KOEDSRBCBNBLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF4N/c7-2-1-3(8)12-6(11)4(2)5(9)10/h1,5H.
What are the key properties of 4-bromo-3-(difluoromethyl)-2,6-difluoropyridine?
4-bromo-3-(difluoromethyl)-2,6-difluoropyridine has a molecular weight of 243.98 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(difluoromethyl)-2,6-difluoropyridine is sourced from PubChem (CID 118806244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).