4-(difluoromethyl)pyridine

C6H5F2N — CID 640476

IUPAC4-(difluoromethyl)pyridine
SMILESFC(F)c1ccncc1
InChIInChI=1S/C6H5F2N/c7-6(8)5-1-3-9-4-2-5/h1-4,6H
InChIKeyXPNKTOPRNGWNCL-UHFFFAOYSA-N
MW129.11 g/mol
LogP2.02
Rot. Bonds1

About 4-(difluoromethyl)pyridine

4-(difluoromethyl)pyridine (PubChem CID 640476) has the molecular formula C6H5F2N and a molecular weight of 129.11 g/mol. Its IUPAC name is 4-(difluoromethyl)pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)pyridine
PubChem CID640476
Molecular FormulaC6H5F2N
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name4-(difluoromethyl)pyridine
SMILESFC(F)c1ccncc1
InChIInChI=1S/C6H5F2N/c7-6(8)5-1-3-9-4-2-5/h1-4,6H
InChIKeyXPNKTOPRNGWNCL-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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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)pyridine?
The IUPAC name of 4-(difluoromethyl)pyridine (CID 640476) is 4-(difluoromethyl)pyridine.
What is the SMILES notation for 4-(difluoromethyl)pyridine?
The canonical SMILES for 4-(difluoromethyl)pyridine is FC(F)c1ccncc1.
What is the InChIKey of 4-(difluoromethyl)pyridine?
The InChIKey is XPNKTOPRNGWNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N/c7-6(8)5-1-3-9-4-2-5/h1-4,6H.
What are the key properties of 4-(difluoromethyl)pyridine?
4-(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 4-(difluoromethyl)pyridine is sourced from PubChem (CID 640476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).