1,6-difluoro-2H-pyridine

C5H5F2N — CID 19593597

IUPAC1,6-difluoro-2H-pyridine
SMILESFC1=CC=CCN1F
InChIInChI=1S/C5H5F2N/c6-5-3-1-2-4-8(5)7/h1-3H,4H2
InChIKeyZHNOLYZEFPHMEK-UHFFFAOYSA-N
MW117.10 g/mol
LogP1.55
Rot. Bonds

About 1,6-difluoro-2H-pyridine

1,6-difluoro-2H-pyridine (PubChem CID 19593597) has the molecular formula C5H5F2N and a molecular weight of 117.10 g/mol. Its IUPAC name is 1,6-difluoro-2H-pyridine.

Molecular Properties

Compound Name1,6-difluoro-2H-pyridine
PubChem CID19593597
Molecular FormulaC5H5F2N
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name1,6-difluoro-2H-pyridine
SMILESFC1=CC=CCN1F
InChIInChI=1S/C5H5F2N/c6-5-3-1-2-4-8(5)7/h1-3H,4H2
InChIKeyZHNOLYZEFPHMEK-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'}

Analyze 1,6-difluoro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-fluoropyridine
CID 19734802
6-fluoro-1-methyl-2H-pyridine
CID 19087015
1,2-difluoro-2H-pyridine
CID 54427725
2,6-difluoro-1-(trifluoromethyl)-2H-pyridine
CID 67942482
1-bromo-3-fluoro-2H-pyridine
CID 87240328
6-chloro-1-fluoro-2H-pyridine
CID 87294216
6-bromo-1-fluoro-2H-pyridine
CID 87294245
1-bromo-4-fluoro-2H-pyridine
CID 87604810
1-(trifluoromethyl)-2H-pyridine
CID 91615672
1,3-difluoro-2H-pyridine
CID 141461323
2,6-difluoro-1-methyl-2H-pyridine
CID 141853228
(1-Fluoro-2-pyridinylidene)tungsten
CID 143232687

Frequently Asked Questions

What is the IUPAC name of 1,6-difluoro-2H-pyridine?
The IUPAC name of 1,6-difluoro-2H-pyridine (CID 19593597) is 1,6-difluoro-2H-pyridine.
What is the SMILES notation for 1,6-difluoro-2H-pyridine?
The canonical SMILES for 1,6-difluoro-2H-pyridine is FC1=CC=CCN1F.
What is the InChIKey of 1,6-difluoro-2H-pyridine?
The InChIKey is ZHNOLYZEFPHMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N/c6-5-3-1-2-4-8(5)7/h1-3H,4H2.
What are the key properties of 1,6-difluoro-2H-pyridine?
1,6-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 1,6-difluoro-2H-pyridine is sourced from PubChem (CID 19593597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).