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

C7H4Br2ClF2N — CID 130099019

IUPAC2,6-dibromo-3-(chloromethyl)-5-(difluoromethyl)pyridine
SMILESFC(F)c1cc(CCl)c(Br)nc1Br
InChIInChI=1S/C7H4Br2ClF2N/c8-5-3(2-10)1-4(7(11)12)6(9)13-5/h1,7H,2H2
InChIKeyTUCTWFATVXKPGR-UHFFFAOYSA-N
MW335.37 g/mol
LogP4.28
Rot. Bonds2

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

2,6-dibromo-3-(chloromethyl)-5-(difluoromethyl)pyridine (PubChem CID 130099019) has the molecular formula C7H4Br2ClF2N and a molecular weight of 335.37 g/mol. Its IUPAC name is 2,6-dibromo-3-(chloromethyl)-5-(difluoromethyl)pyridine.

Molecular Properties

Compound Name2,6-dibromo-3-(chloromethyl)-5-(difluoromethyl)pyridine
PubChem CID130099019
Molecular FormulaC7H4Br2ClF2N
Molecular Weight335.37 g/mol
Exact Mass332.84
IUPAC Name2,6-dibromo-3-(chloromethyl)-5-(difluoromethyl)pyridine
SMILESFC(F)c1cc(CCl)c(Br)nc1Br
InChIInChI=1S/C7H4Br2ClF2N/c8-5-3(2-10)1-4(7(11)12)6(9)13-5/h1,7H,2H2
InChIKeyTUCTWFATVXKPGR-UHFFFAOYSA-N
XLogP4.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine
CID 119016714
2-bromo-3-(chloromethyl)-5-(difluoromethyl)-6-iodopyridine
CID 119010218
2,6-dibromo-3-(bromomethyl)-5-(difluoromethyl)pyridine
CID 130098992
[2,6-dibromo-5-(difluoromethyl)-3-pyridinyl]methanol
CID 119006650
6-bromo-3-(chloromethyl)-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118990917
2-bromo-5-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine
CID 119006485
2-bromo-3-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine
CID 119011286
2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 119022475
2-bromo-6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine
CID 119001903
2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine
CID 119010057
2-bromo-3-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine
CID 118995980
6-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine
CID 130101938

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-3-(chloromethyl)-5-(difluoromethyl)pyridine?
The IUPAC name of 2,6-dibromo-3-(chloromethyl)-5-(difluoromethyl)pyridine (CID 130099019) is 2,6-dibromo-3-(chloromethyl)-5-(difluoromethyl)pyridine.
What is the SMILES notation for 2,6-dibromo-3-(chloromethyl)-5-(difluoromethyl)pyridine?
The canonical SMILES for 2,6-dibromo-3-(chloromethyl)-5-(difluoromethyl)pyridine is FC(F)c1cc(CCl)c(Br)nc1Br.
What is the InChIKey of 2,6-dibromo-3-(chloromethyl)-5-(difluoromethyl)pyridine?
The InChIKey is TUCTWFATVXKPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2ClF2N/c8-5-3(2-10)1-4(7(11)12)6(9)13-5/h1,7H,2H2.
What are the key properties of 2,6-dibromo-3-(chloromethyl)-5-(difluoromethyl)pyridine?
2,6-dibromo-3-(chloromethyl)-5-(difluoromethyl)pyridine has a molecular weight of 335.37 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-3-(chloromethyl)-5-(difluoromethyl)pyridine is sourced from PubChem (CID 130099019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).