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

C8H5BrF5N — CID 134668697

IUPAC6-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine
SMILESFC(F)c1nc(CBr)ccc1C(F)(F)F
InChIInChI=1S/C8H5BrF5N/c9-3-4-1-2-5(8(12,13)14)6(15-4)7(10)11/h1-2,7H,3H2
InChIKeyPKUZTVYMWGZLIS-UHFFFAOYSA-N
MW290.03 g/mol
LogP3.93
Rot. Bonds2

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

6-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine (PubChem CID 134668697) has the molecular formula C8H5BrF5N and a molecular weight of 290.03 g/mol. Its IUPAC name is 6-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine
PubChem CID134668697
Molecular FormulaC8H5BrF5N
Molecular Weight290.03 g/mol
Exact Mass288.95
IUPAC Name6-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine
SMILESFC(F)c1nc(CBr)ccc1C(F)(F)F
InChIInChI=1S/C8H5BrF5N/c9-3-4-1-2-5(8(12,13)14)6(15-4)7(10)11/h1-2,7H,3H2
InChIKeyPKUZTVYMWGZLIS-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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Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 6-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine (CID 134668697) is 6-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 6-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine is FC(F)c1nc(CBr)ccc1C(F)(F)F.
What is the InChIKey of 6-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine?
The InChIKey is PKUZTVYMWGZLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF5N/c9-3-4-1-2-5(8(12,13)14)6(15-4)7(10)11/h1-2,7H,3H2.
What are the key properties of 6-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine?
6-(bromomethyl)-2-(difluoromethyl)-3-(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 6-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 134668697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).