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

C8H4Br2F5N — CID 130070180

IUPAC6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine
SMILESFC(F)c1c(C(F)(F)F)cc(Br)nc1CBr
InChIInChI=1S/C8H4Br2F5N/c9-2-4-6(7(11)12)3(8(13,14)15)1-5(10)16-4/h1,7H,2H2
InChIKeyYEKXXPQXVYNFNT-UHFFFAOYSA-N
MW368.93 g/mol
LogP4.70
Rot. Bonds2

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

6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine (PubChem CID 130070180) has the molecular formula C8H4Br2F5N and a molecular weight of 368.93 g/mol. Its IUPAC name is 6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine
PubChem CID130070180
Molecular FormulaC8H4Br2F5N
Molecular Weight368.93 g/mol
Exact Mass366.86
IUPAC Name6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine
SMILESFC(F)c1c(C(F)(F)F)cc(Br)nc1CBr
InChIInChI=1S/C8H4Br2F5N/c9-2-4-6(7(11)12)3(8(13,14)15)1-5(10)16-4/h1,7H,2H2
InChIKeyYEKXXPQXVYNFNT-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

2-[6-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134685323
6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-methylpyridine
CID 130069181
2-[6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130070222
6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-fluoropyridine
CID 130109492
[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 133103764
6-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 119002293
2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134670039
4-bromo-2-(bromomethyl)-3-(difluoromethyl)-6-iodopyridine
CID 130068259
6-bromo-4-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130070176
2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133104341
6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118819811
2-[2-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118815881

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine (CID 130070180) is 6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine is FC(F)c1c(C(F)(F)F)cc(Br)nc1CBr.
What is the InChIKey of 6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine?
The InChIKey is YEKXXPQXVYNFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2F5N/c9-2-4-6(7(11)12)3(8(13,14)15)1-5(10)16-4/h1,7H,2H2.
What are the key properties of 6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine?
6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-(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-2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 130070180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).