6-(difluoromethyl)-1,2-dihydropyridine

C6H7F2N — CID 70500081

IUPAC6-(difluoromethyl)-1,2-dihydropyridine
SMILESFC(F)C1=CC=CCN1
InChIInChI=1S/C6H7F2N/c7-6(8)5-3-1-2-4-9-5/h1-3,6,9H,4H2
InChIKeyAGPKNFWXHXZLQO-UHFFFAOYSA-N
MW131.12 g/mol
LogP1.29
Rot. Bonds1

About 6-(difluoromethyl)-1,2-dihydropyridine

6-(difluoromethyl)-1,2-dihydropyridine (PubChem CID 70500081) has the molecular formula C6H7F2N and a molecular weight of 131.12 g/mol. Its IUPAC name is 6-(difluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name6-(difluoromethyl)-1,2-dihydropyridine
PubChem CID70500081
Molecular FormulaC6H7F2N
Molecular Weight131.12 g/mol
Exact Mass131.05
IUPAC Name6-(difluoromethyl)-1,2-dihydropyridine
SMILESFC(F)C1=CC=CCN1
InChIInChI=1S/C6H7F2N/c7-6(8)5-3-1-2-4-9-5/h1-3,6,9H,4H2
InChIKeyAGPKNFWXHXZLQO-UHFFFAOYSA-N
XLogP1.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.12
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 6-(difluoromethyl)-1,2-dihydropyridine (CID 70500081) is 6-(difluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 6-(difluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 6-(difluoromethyl)-1,2-dihydropyridine is FC(F)C1=CC=CCN1.
What is the InChIKey of 6-(difluoromethyl)-1,2-dihydropyridine?
The InChIKey is AGPKNFWXHXZLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N/c7-6(8)5-3-1-2-4-9-5/h1-3,6,9H,4H2.
What are the key properties of 6-(difluoromethyl)-1,2-dihydropyridine?
6-(difluoromethyl)-1,2-dihydropyridine has a molecular weight of 131.12 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 70500081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).