1-(difluoromethyl)-2H-pyridine

C6H7F2N — CID 154298440

IUPAC1-(difluoromethyl)-2H-pyridine
SMILESFC(F)N1C=CC=CC1
InChIInChI=1S/C6H7F2N/c7-6(8)9-4-2-1-3-5-9/h1-4,6H,5H2
InChIKeyOXUYDBPNCFYSLQ-UHFFFAOYSA-N
MW131.12 g/mol
LogP1.59
Rot. Bonds1

About 1-(difluoromethyl)-2H-pyridine

1-(difluoromethyl)-2H-pyridine (PubChem CID 154298440) has the molecular formula C6H7F2N and a molecular weight of 131.12 g/mol. Its IUPAC name is 1-(difluoromethyl)-2H-pyridine.

Molecular Properties

Compound Name1-(difluoromethyl)-2H-pyridine
PubChem CID154298440
Molecular FormulaC6H7F2N
Molecular Weight131.12 g/mol
Exact Mass131.05
IUPAC Name1-(difluoromethyl)-2H-pyridine
SMILESFC(F)N1C=CC=CC1
InChIInChI=1S/C6H7F2N/c7-6(8)9-4-2-1-3-5-9/h1-4,6H,5H2
InChIKeyOXUYDBPNCFYSLQ-UHFFFAOYSA-N
XLogP1.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.12
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2H-pyridine?
The IUPAC name of 1-(difluoromethyl)-2H-pyridine (CID 154298440) is 1-(difluoromethyl)-2H-pyridine.
What is the SMILES notation for 1-(difluoromethyl)-2H-pyridine?
The canonical SMILES for 1-(difluoromethyl)-2H-pyridine is FC(F)N1C=CC=CC1.
What is the InChIKey of 1-(difluoromethyl)-2H-pyridine?
The InChIKey is OXUYDBPNCFYSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N/c7-6(8)9-4-2-1-3-5-9/h1-4,6H,5H2.
What are the key properties of 1-(difluoromethyl)-2H-pyridine?
1-(difluoromethyl)-2H-pyridine has a molecular weight of 131.12 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2H-pyridine is sourced from PubChem (CID 154298440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).