2,6-difluoropyridine;hydrate

C5H5F2NO — CID 56972369

IUPAC2,6-difluoropyridine;hydrate
SMILESFc1cccc(F)n1.O
InChIInChI=1S/C5H3F2N.H2O/c6-4-2-1-3-5(7)8-4;/h1-3H;1H2
InChIKeyVAMBFYQXFNKAMG-UHFFFAOYSA-N
MW133.10 g/mol
LogP0.54
Rot. Bonds

About 2,6-difluoropyridine;hydrate

2,6-difluoropyridine;hydrate (PubChem CID 56972369) has the molecular formula C5H5F2NO and a molecular weight of 133.10 g/mol. Its IUPAC name is 2,6-difluoropyridine;hydrate.

Molecular Properties

Compound Name2,6-difluoropyridine;hydrate
PubChem CID56972369
Molecular FormulaC5H5F2NO
Molecular Weight133.10 g/mol
Exact Mass133.03
IUPAC Name2,6-difluoropyridine;hydrate
SMILESFc1cccc(F)n1.O
InChIInChI=1S/C5H3F2N.H2O/c6-4-2-1-3-5(7)8-4;/h1-3H;1H2
InChIKeyVAMBFYQXFNKAMG-UHFFFAOYSA-N
XLogP0.54
TPSA44.39 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoropyridine;hydrate?
The IUPAC name of 2,6-difluoropyridine;hydrate (CID 56972369) is 2,6-difluoropyridine;hydrate.
What is the SMILES notation for 2,6-difluoropyridine;hydrate?
The canonical SMILES for 2,6-difluoropyridine;hydrate is Fc1cccc(F)n1.O.
What is the InChIKey of 2,6-difluoropyridine;hydrate?
The InChIKey is VAMBFYQXFNKAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F2N.H2O/c6-4-2-1-3-5(7)8-4;/h1-3H;1H2.
What are the key properties of 2,6-difluoropyridine;hydrate?
2,6-difluoropyridine;hydrate has a molecular weight of 133.10 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoropyridine;hydrate is sourced from PubChem (CID 56972369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).