4-bromo-2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine

C8H4Br2F5N — CID 130070201

IUPAC4-bromo-2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine
SMILESFC(F)c1cnc(CBr)c(C(F)(F)F)c1Br
InChIInChI=1S/C8H4Br2F5N/c9-1-4-5(8(13,14)15)6(10)3(2-16-4)7(11)12/h2,7H,1H2
InChIKeyZGUFEDOTEOCBCA-UHFFFAOYSA-N
MW368.93 g/mol
LogP4.70
Rot. Bonds2

About 4-bromo-2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine

4-bromo-2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine (PubChem CID 130070201) has the molecular formula C8H4Br2F5N and a molecular weight of 368.93 g/mol. Its IUPAC name is 4-bromo-2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-bromo-2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine
PubChem CID130070201
Molecular FormulaC8H4Br2F5N
Molecular Weight368.93 g/mol
Exact Mass366.86
IUPAC Name4-bromo-2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine
SMILESFC(F)c1cnc(CBr)c(C(F)(F)F)c1Br
InChIInChI=1S/C8H4Br2F5N/c9-1-4-5(8(13,14)15)6(10)3(2-16-4)7(11)12/h2,7H,1H2
InChIKeyZGUFEDOTEOCBCA-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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[3-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanamine
CID 118831112
2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134667801
2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 118990855
3-(bromomethyl)-5-(difluoromethyl)-2-fluoro-4-(trifluoromethyl)pyridine
CID 130081733
[4-bromo-3-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]methanol
CID 130070291
methyl 4-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134674291
2-[3-bromo-2-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130070225
[5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine
CID 134672562
2,3-dibromo-4-(bromomethyl)-5-(difluoromethyl)pyridine
CID 130098975
[3-amino-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 130107745
[4-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130070007
[4-bromo-5-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine
CID 118803013

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 4-bromo-2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine (CID 130070201) is 4-bromo-2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-bromo-2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 4-bromo-2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine is FC(F)c1cnc(CBr)c(C(F)(F)F)c1Br.
What is the InChIKey of 4-bromo-2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine?
The InChIKey is ZGUFEDOTEOCBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2F5N/c9-1-4-5(8(13,14)15)6(10)3(2-16-4)7(11)12/h2,7H,1H2.
What are the key properties of 4-bromo-2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine?
4-bromo-2-(bromomethyl)-5-(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 4-bromo-2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 130070201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).