3-(difluoromethyl)-6-fluoro-2-(fluoromethyl)pyridine

C7H5F4N — CID 130096389

IUPAC3-(difluoromethyl)-6-fluoro-2-(fluoromethyl)pyridine
SMILESFCc1nc(F)ccc1C(F)F
InChIInChI=1S/C7H5F4N/c8-3-5-4(7(10)11)1-2-6(9)12-5/h1-2,7H,3H2
InChIKeySTFXRQIQFOCGBW-UHFFFAOYSA-N
MW179.12 g/mol
LogP2.63
Rot. Bonds2

About 3-(difluoromethyl)-6-fluoro-2-(fluoromethyl)pyridine

3-(difluoromethyl)-6-fluoro-2-(fluoromethyl)pyridine (PubChem CID 130096389) has the molecular formula C7H5F4N and a molecular weight of 179.12 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-fluoro-2-(fluoromethyl)pyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-6-fluoro-2-(fluoromethyl)pyridine
PubChem CID130096389
Molecular FormulaC7H5F4N
Molecular Weight179.12 g/mol
Exact Mass179.04
IUPAC Name3-(difluoromethyl)-6-fluoro-2-(fluoromethyl)pyridine
SMILESFCc1nc(F)ccc1C(F)F
InChIInChI=1S/C7H5F4N/c8-3-5-4(7(10)11)1-2-6(9)12-5/h1-2,7H,3H2
InChIKeySTFXRQIQFOCGBW-UHFFFAOYSA-N
XLogP2.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.12
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-3-(difluoromethyl)-2-(fluoromethyl)pyridine
CID 130095142
3-(difluoromethyl)-6-fluoro-2-iodopyridine
CID 130096186
6-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridine
CID 130095122
4-(difluoromethyl)-2-(fluoromethyl)pyridin-3-ol
CID 118801747
3-chloro-4-(difluoromethyl)-2-(fluoromethyl)pyridine
CID 130095551
2-(cyclopropylmethyl)-6-fluoro-3-propan-2-ylpyridine
CID 130382070
3-chloro-2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine
CID 130071789
6-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118849411
[6-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol
CID 130098354
3-amino-3-(2,6-difluoro-3-pyridinyl)propanenitrile
CID 55294847
(1R)-1-(6-fluoro-2-methyl-3-pyridinyl)-2-methylpropan-1-amine
CID 55273620
1-(2,6-difluoro-3-pyridinyl)propane-1,2,3-triol
CID 170817617

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-fluoro-2-(fluoromethyl)pyridine?
The IUPAC name of 3-(difluoromethyl)-6-fluoro-2-(fluoromethyl)pyridine (CID 130096389) is 3-(difluoromethyl)-6-fluoro-2-(fluoromethyl)pyridine.
What is the SMILES notation for 3-(difluoromethyl)-6-fluoro-2-(fluoromethyl)pyridine?
The canonical SMILES for 3-(difluoromethyl)-6-fluoro-2-(fluoromethyl)pyridine is FCc1nc(F)ccc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-6-fluoro-2-(fluoromethyl)pyridine?
The InChIKey is STFXRQIQFOCGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4N/c8-3-5-4(7(10)11)1-2-6(9)12-5/h1-2,7H,3H2.
What are the key properties of 3-(difluoromethyl)-6-fluoro-2-(fluoromethyl)pyridine?
3-(difluoromethyl)-6-fluoro-2-(fluoromethyl)pyridine has a molecular weight of 179.12 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-fluoro-2-(fluoromethyl)pyridine is sourced from PubChem (CID 130096389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).