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

C6HBr2ClF3N — CID 124849965

IUPAC3,5-dibromo-2-chloro-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1nc(Cl)c(Br)cc1Br
InChIInChI=1S/C6HBr2ClF3N/c7-2-1-3(8)5(9)13-4(2)6(10,11)12/h1H
InChIKeyPTKXDSQYFCZKCA-UHFFFAOYSA-N
MW339.34 g/mol
LogP4.28
Rot. Bonds

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

3,5-dibromo-2-chloro-6-(trifluoromethyl)pyridine (PubChem CID 124849965) has the molecular formula C6HBr2ClF3N and a molecular weight of 339.34 g/mol. Its IUPAC name is 3,5-dibromo-2-chloro-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3,5-dibromo-2-chloro-6-(trifluoromethyl)pyridine
PubChem CID124849965
Molecular FormulaC6HBr2ClF3N
Molecular Weight339.34 g/mol
Exact Mass336.81
IUPAC Name3,5-dibromo-2-chloro-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1nc(Cl)c(Br)cc1Br
InChIInChI=1S/C6HBr2ClF3N/c7-2-1-3(8)5(9)13-4(2)6(10,11)12/h1H
InChIKeyPTKXDSQYFCZKCA-UHFFFAOYSA-N
XLogP4.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 54.28
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

2,5-dibromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine
CID 118994364
5-bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 118999839
5-bromo-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 130748898
(5-bromo-6-chloro-3-fluoro-2-pyridinyl)methanol
CID 129282196
3,5-dibromo-6-chloro-N-methylpyridin-2-amine
CID 118705082
3-bromo-2-chloro-5-iodo-6-methylpyridine
CID 130133378
2-chloro-3-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)pyridine
CID 130071827
3-bromo-5-methyl-2-(trifluoromethyl)pyridine
CID 83919393
1,5-dibromo-2,3,4-tris(trifluoromethyl)benzene
CID 162536983
4-bromo-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 118806264
[2-chloro-3-(trifluoromethyl)thieno[2,3-b]pyrazin-6-yl]methanol
CID 177236614
3,4,6-trichloro-2-(trifluoromethyl)pyridine
CID 171506095

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-chloro-6-(trifluoromethyl)pyridine?
The IUPAC name of 3,5-dibromo-2-chloro-6-(trifluoromethyl)pyridine (CID 124849965) is 3,5-dibromo-2-chloro-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 3,5-dibromo-2-chloro-6-(trifluoromethyl)pyridine?
The canonical SMILES for 3,5-dibromo-2-chloro-6-(trifluoromethyl)pyridine is FC(F)(F)c1nc(Cl)c(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-2-chloro-6-(trifluoromethyl)pyridine?
The InChIKey is PTKXDSQYFCZKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBr2ClF3N/c7-2-1-3(8)5(9)13-4(2)6(10,11)12/h1H.
What are the key properties of 3,5-dibromo-2-chloro-6-(trifluoromethyl)pyridine?
3,5-dibromo-2-chloro-6-(trifluoromethyl)pyridine has a molecular weight of 339.34 g/mol, XLogP of 4.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-chloro-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 124849965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).