6-bromo-4-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine

C8H4Br2F5N — CID 130070176

IUPAC6-bromo-4-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine
SMILESFC(F)c1nc(Br)cc(CBr)c1C(F)(F)F
InChIInChI=1S/C8H4Br2F5N/c9-2-3-1-4(10)16-6(7(11)12)5(3)8(13,14)15/h1,7H,2H2
InChIKeyWEOLJHJAQVCLBG-UHFFFAOYSA-N
MW368.93 g/mol
LogP4.70
Rot. Bonds2

About 6-bromo-4-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine

6-bromo-4-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine (PubChem CID 130070176) has the molecular formula C8H4Br2F5N and a molecular weight of 368.93 g/mol. Its IUPAC name is 6-bromo-4-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-bromo-4-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine
PubChem CID130070176
Molecular FormulaC8H4Br2F5N
Molecular Weight368.93 g/mol
Exact Mass366.86
IUPAC Name6-bromo-4-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine
SMILESFC(F)c1nc(Br)cc(CBr)c1C(F)(F)F
InChIInChI=1S/C8H4Br2F5N/c9-2-3-1-4(10)16-6(7(11)12)5(3)8(13,14)15/h1,7H,2H2
InChIKeyWEOLJHJAQVCLBG-UHFFFAOYSA-N
XLogP4.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.93
LogP ≤ 54.70
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

4-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 130107064
6-bromo-4-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine
CID 130108046
6-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134670040
6-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130108796
5-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridine
CID 130087042
3-(bromomethyl)-5-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine
CID 130075114
6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 130070180
5-(bromomethyl)-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130075134
6-bromo-2-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130070493
6-bromo-4-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 118995559
6-chloro-2-(difluoromethyl)-4-iodo-3-(trifluoromethyl)pyridine
CID 130073209
3-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106766

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 6-bromo-4-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine (CID 130070176) is 6-bromo-4-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-bromo-4-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 6-bromo-4-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine is FC(F)c1nc(Br)cc(CBr)c1C(F)(F)F.
What is the InChIKey of 6-bromo-4-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine?
The InChIKey is WEOLJHJAQVCLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2F5N/c9-2-3-1-4(10)16-6(7(11)12)5(3)8(13,14)15/h1,7H,2H2.
What are the key properties of 6-bromo-4-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine?
6-bromo-4-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine has a molecular weight of 368.93 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 130070176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).