2,5-dibromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine

C7H2Br2F5N — CID 118994364

IUPAC2,5-dibromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine
SMILESFC(F)c1cc(Br)c(C(F)(F)F)nc1Br
InChIInChI=1S/C7H2Br2F5N/c8-3-1-2(6(10)11)5(9)15-4(3)7(12,13)14/h1,6H
InChIKeyYCMQDIAGMBBEHT-UHFFFAOYSA-N
MW354.90 g/mol
LogP4.56
Rot. Bonds1

About 2,5-dibromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine

2,5-dibromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine (PubChem CID 118994364) has the molecular formula C7H2Br2F5N and a molecular weight of 354.90 g/mol. Its IUPAC name is 2,5-dibromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,5-dibromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine
PubChem CID118994364
Molecular FormulaC7H2Br2F5N
Molecular Weight354.90 g/mol
Exact Mass352.85
IUPAC Name2,5-dibromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine
SMILESFC(F)c1cc(Br)c(C(F)(F)F)nc1Br
InChIInChI=1S/C7H2Br2F5N/c8-3-1-2(6(10)11)5(9)15-4(3)7(12,13)14/h1,6H
InChIKeyYCMQDIAGMBBEHT-UHFFFAOYSA-N
XLogP4.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.90
LogP ≤ 54.56
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-3-(difluoromethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 118999839
2,6-dibromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 118999254
2-bromo-6-chloro-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 119019524
2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 119022475
2-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 119011244
2,3-dibromo-6-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 134683525
3,6-dibromo-5-(difluoromethyl)pyridine-2-carboxamide
CID 119025298
3,5-dibromo-2-chloro-6-(trifluoromethyl)pyridine
CID 124849965
2-bromo-4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine
CID 130109578
[2,6-dibromo-5-(difluoromethyl)-3-pyridinyl]methanol
CID 119006650
methyl 6-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134676245
3-bromo-2-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)pyridine
CID 130109594

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine?
The IUPAC name of 2,5-dibromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine (CID 118994364) is 2,5-dibromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2,5-dibromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2,5-dibromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine is FC(F)c1cc(Br)c(C(F)(F)F)nc1Br.
What is the InChIKey of 2,5-dibromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine?
The InChIKey is YCMQDIAGMBBEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Br2F5N/c8-3-1-2(6(10)11)5(9)15-4(3)7(12,13)14/h1,6H.
What are the key properties of 2,5-dibromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine?
2,5-dibromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine has a molecular weight of 354.90 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 118994364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).