3-(difluoromethyl)pyridine

C6H5F2N — CID 640475

IUPAC3-(difluoromethyl)pyridine
SMILESFC(F)c1cccnc1
InChIInChI=1S/C6H5F2N/c7-6(8)5-2-1-3-9-4-5/h1-4,6H
InChIKeyHKRKGTFBASUFRO-UHFFFAOYSA-N
MW129.11 g/mol
LogP2.02
Rot. Bonds1

About 3-(difluoromethyl)pyridine

3-(difluoromethyl)pyridine (PubChem CID 640475) has the molecular formula C6H5F2N and a molecular weight of 129.11 g/mol. Its IUPAC name is 3-(difluoromethyl)pyridine.

Molecular Properties

Compound Name3-(difluoromethyl)pyridine
PubChem CID640475
Molecular FormulaC6H5F2N
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name3-(difluoromethyl)pyridine
SMILESFC(F)c1cccnc1
InChIInChI=1S/C6H5F2N/c7-6(8)5-2-1-3-9-4-5/h1-4,6H
InChIKeyHKRKGTFBASUFRO-UHFFFAOYSA-N
XLogP2.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pyridine
CID 1049
3-Methylpyridine
CID 7970
4-Methylpyridine
CID 7963
4-Vinylpyridine
CID 7502
2-Methylpyridine
CID 7975
Myosmine
CID 442649
2-Vinylpyridine
CID 7521
5-Ethyl-2-methylpyridine
CID 7728
Anabaseine
CID 18985
4-Phenylpyridine
CID 13651
2,4-Dimethylpyridine
CID 7936
3-Cyanopyridine
CID 79

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)pyridine?
The IUPAC name of 3-(difluoromethyl)pyridine (CID 640475) is 3-(difluoromethyl)pyridine.
What is the SMILES notation for 3-(difluoromethyl)pyridine?
The canonical SMILES for 3-(difluoromethyl)pyridine is FC(F)c1cccnc1.
What is the InChIKey of 3-(difluoromethyl)pyridine?
The InChIKey is HKRKGTFBASUFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N/c7-6(8)5-2-1-3-9-4-5/h1-4,6H.
What are the key properties of 3-(difluoromethyl)pyridine?
3-(difluoromethyl)pyridine has a molecular weight of 129.11 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)pyridine is sourced from PubChem (CID 640475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).