3-(bromomethyl)-5-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine

C8H4BrClF5N — CID 130075114

IUPAC3-(bromomethyl)-5-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine
SMILESFC(F)c1nc(C(F)(F)F)c(Cl)cc1CBr
InChIInChI=1S/C8H4BrClF5N/c9-2-3-1-4(10)6(8(13,14)15)16-5(3)7(11)12/h1,7H,2H2
InChIKeyXGPHYNUCMGXCKB-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.59
Rot. Bonds2

About 3-(bromomethyl)-5-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine

3-(bromomethyl)-5-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine (PubChem CID 130075114) has the molecular formula C8H4BrClF5N and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-(bromomethyl)-5-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(bromomethyl)-5-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine
PubChem CID130075114
Molecular FormulaC8H4BrClF5N
Molecular Weight324.47 g/mol
Exact Mass322.91
IUPAC Name3-(bromomethyl)-5-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine
SMILESFC(F)c1nc(C(F)(F)F)c(Cl)cc1CBr
InChIInChI=1S/C8H4BrClF5N/c9-2-3-1-4(10)6(8(13,14)15)16-5(3)7(11)12/h1,7H,2H2
InChIKeyXGPHYNUCMGXCKB-UHFFFAOYSA-N
XLogP4.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.59
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

5-chloro-2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine
CID 134685820
5-(bromomethyl)-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130075134
5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine
CID 130068256
3-(bromomethyl)-6-chloro-2-(difluoromethyl)pyridine
CID 130095515
5-(bromomethyl)-3-chloro-2-(difluoromethyl)-6-methoxypyridine
CID 130073770
3-(bromomethyl)-5-(difluoromethyl)-2-iodo-6-(trifluoromethyl)pyridine
CID 130087022
[5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanamine
CID 118842676
1-(bromomethyl)-4,5-dichloro-2-(trifluoromethyl)benzene
CID 171015138
3-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130075329
6-bromo-4-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130070176
5-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 134661690
5-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridine
CID 130087042

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-5-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine?
The IUPAC name of 3-(bromomethyl)-5-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine (CID 130075114) is 3-(bromomethyl)-5-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(bromomethyl)-5-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(bromomethyl)-5-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine is FC(F)c1nc(C(F)(F)F)c(Cl)cc1CBr.
What is the InChIKey of 3-(bromomethyl)-5-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine?
The InChIKey is XGPHYNUCMGXCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClF5N/c9-2-3-1-4(10)6(8(13,14)15)16-5(3)7(11)12/h1,7H,2H2.
What are the key properties of 3-(bromomethyl)-5-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine?
3-(bromomethyl)-5-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine has a molecular weight of 324.47 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 130075114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).