1,2-difluoro-2H-pyridine

C5H5F2N — CID 54427725

IUPAC1,2-difluoro-2H-pyridine
SMILESFC1C=CC=CN1F
InChIInChI=1S/C5H5F2N/c6-5-3-1-2-4-8(5)7/h1-5H
InChIKeyWFHOPDNHPQGQKL-UHFFFAOYSA-N
MW117.10 g/mol
LogP1.55
Rot. Bonds

About 1,2-difluoro-2H-pyridine

1,2-difluoro-2H-pyridine (PubChem CID 54427725) has the molecular formula C5H5F2N and a molecular weight of 117.10 g/mol. Its IUPAC name is 1,2-difluoro-2H-pyridine.

Molecular Properties

Compound Name1,2-difluoro-2H-pyridine
PubChem CID54427725
Molecular FormulaC5H5F2N
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name1,2-difluoro-2H-pyridine
SMILESFC1C=CC=CN1F
InChIInChI=1S/C5H5F2N/c6-5-3-1-2-4-8(5)7/h1-5H
InChIKeyWFHOPDNHPQGQKL-UHFFFAOYSA-N
XLogP1.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-2H-pyridine?
The IUPAC name of 1,2-difluoro-2H-pyridine (CID 54427725) is 1,2-difluoro-2H-pyridine.
What is the SMILES notation for 1,2-difluoro-2H-pyridine?
The canonical SMILES for 1,2-difluoro-2H-pyridine is FC1C=CC=CN1F.
What is the InChIKey of 1,2-difluoro-2H-pyridine?
The InChIKey is WFHOPDNHPQGQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N/c6-5-3-1-2-4-8(5)7/h1-5H.
What are the key properties of 1,2-difluoro-2H-pyridine?
1,2-difluoro-2H-pyridine has a molecular weight of 117.10 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-2H-pyridine is sourced from PubChem (CID 54427725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).