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

C8H5BrF5N — CID 134661690

IUPAC5-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)c1cc(CBr)cnc1C(F)(F)F
InChIInChI=1S/C8H5BrF5N/c9-2-4-1-5(7(10)11)6(15-3-4)8(12,13)14/h1,3,7H,2H2
InChIKeyOAHXOVCNIVZUEX-UHFFFAOYSA-N
MW290.03 g/mol
LogP3.93
Rot. Bonds2

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

5-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine (PubChem CID 134661690) has the molecular formula C8H5BrF5N and a molecular weight of 290.03 g/mol. Its IUPAC name is 5-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine
PubChem CID134661690
Molecular FormulaC8H5BrF5N
Molecular Weight290.03 g/mol
Exact Mass288.95
IUPAC Name5-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)c1cc(CBr)cnc1C(F)(F)F
InChIInChI=1S/C8H5BrF5N/c9-2-4-1-5(7(10)11)6(15-3-4)8(12,13)14/h1,3,7H,2H2
InChIKeyOAHXOVCNIVZUEX-UHFFFAOYSA-N
XLogP3.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.03
LogP ≤ 53.93
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-(bromomethyl)-5-(difluoromethyl)-2-iodo-6-(trifluoromethyl)pyridine
CID 130087022
5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134671200
5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130098296
5-(bromomethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 123704629
[4-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130070007
3-(bromomethyl)-5-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine
CID 130075114
5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine
CID 130095506
2-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118855153
6-(bromomethyl)-4-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine
CID 130086999
3-(bromomethyl)-5-(difluoromethyl)-2-fluoro-4-(trifluoromethyl)pyridine
CID 130081733
3-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-4-amine
CID 118850626
2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 118990855

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine (CID 134661690) is 5-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine is FC(F)c1cc(CBr)cnc1C(F)(F)F.
What is the InChIKey of 5-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine?
The InChIKey is OAHXOVCNIVZUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF5N/c9-2-4-1-5(7(10)11)6(15-3-4)8(12,13)14/h1,3,7H,2H2.
What are the key properties of 5-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine?
5-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine has a molecular weight of 290.03 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 134661690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).