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

C8H4BrClF5N — CID 130075134

IUPAC5-(bromomethyl)-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine
SMILESFC(F)c1nc(Cl)c(C(F)(F)F)cc1CBr
InChIInChI=1S/C8H4BrClF5N/c9-2-3-1-4(8(13,14)15)6(10)16-5(3)7(11)12/h1,7H,2H2
InChIKeyYGSQILYXPTWYQK-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.59
Rot. Bonds2

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

5-(bromomethyl)-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine (PubChem CID 130075134) has the molecular formula C8H4BrClF5N and a molecular weight of 324.47 g/mol. Its IUPAC name is 5-(bromomethyl)-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine
PubChem CID130075134
Molecular FormulaC8H4BrClF5N
Molecular Weight324.47 g/mol
Exact Mass322.91
IUPAC Name5-(bromomethyl)-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine
SMILESFC(F)c1nc(Cl)c(C(F)(F)F)cc1CBr
InChIInChI=1S/C8H4BrClF5N/c9-2-3-1-4(8(13,14)15)6(10)16-5(3)7(11)12/h1,7H,2H2
InChIKeyYGSQILYXPTWYQK-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(bromomethyl)-5-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine
CID 130075114
5-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridine
CID 130087042
3-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106766
methyl 2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134674550
2-bromo-6-chloro-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 119019524
3-(bromomethyl)-2-chloro-6-(difluoromethyl)-5-iodopyridine
CID 130073132
2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075158
2,6-dichloro-3-ethyl-5-(trifluoromethyl)pyridine
CID 139336058
6-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 134668697
2-bromo-5-(bromomethyl)-6-(difluoromethyl)-3-methylpyridine
CID 118995667
[6-bromo-2-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130070024
2-[2-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118815881

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 5-(bromomethyl)-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine (CID 130075134) is 5-(bromomethyl)-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(bromomethyl)-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(bromomethyl)-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine is FC(F)c1nc(Cl)c(C(F)(F)F)cc1CBr.
What is the InChIKey of 5-(bromomethyl)-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine?
The InChIKey is YGSQILYXPTWYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClF5N/c9-2-3-1-4(8(13,14)15)6(10)16-5(3)7(11)12/h1,7H,2H2.
What are the key properties of 5-(bromomethyl)-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine?
5-(bromomethyl)-2-chloro-6-(difluoromethyl)-3-(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 5-(bromomethyl)-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 130075134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).