5-(2,3-difluorophenyl)-2-fluoropyridine

C11H6F3N — CID 133088992

IUPAC5-(2,3-difluorophenyl)-2-fluoropyridine
SMILESFc1ccc(-c2cccc(F)c2F)cn1
InChIInChI=1S/C11H6F3N/c12-9-3-1-2-8(11(9)14)7-4-5-10(13)15-6-7/h1-6H
InChIKeyVGIXVQNZIKEVDS-UHFFFAOYSA-N
MW209.17 g/mol
LogP3.17
Rot. Bonds1

About 5-(2,3-difluorophenyl)-2-fluoropyridine

5-(2,3-difluorophenyl)-2-fluoropyridine (PubChem CID 133088992) has the molecular formula C11H6F3N and a molecular weight of 209.17 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-2-fluoropyridine.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-2-fluoropyridine
PubChem CID133088992
Molecular FormulaC11H6F3N
Molecular Weight209.17 g/mol
Exact Mass209.05
IUPAC Name5-(2,3-difluorophenyl)-2-fluoropyridine
SMILESFc1ccc(-c2cccc(F)c2F)cn1
InChIInChI=1S/C11H6F3N/c12-9-3-1-2-8(11(9)14)7-4-5-10(13)15-6-7/h1-6H
InChIKeyVGIXVQNZIKEVDS-UHFFFAOYSA-N
XLogP3.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 53.17
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 5-(2,3-difluorophenyl)-2-fluoropyridine?
The IUPAC name of 5-(2,3-difluorophenyl)-2-fluoropyridine (CID 133088992) is 5-(2,3-difluorophenyl)-2-fluoropyridine.
What is the SMILES notation for 5-(2,3-difluorophenyl)-2-fluoropyridine?
The canonical SMILES for 5-(2,3-difluorophenyl)-2-fluoropyridine is Fc1ccc(-c2cccc(F)c2F)cn1.
What is the InChIKey of 5-(2,3-difluorophenyl)-2-fluoropyridine?
The InChIKey is VGIXVQNZIKEVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N/c12-9-3-1-2-8(11(9)14)7-4-5-10(13)15-6-7/h1-6H.
What are the key properties of 5-(2,3-difluorophenyl)-2-fluoropyridine?
5-(2,3-difluorophenyl)-2-fluoropyridine has a molecular weight of 209.17 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenyl)-2-fluoropyridine is sourced from PubChem (CID 133088992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).