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

C13H7F2N — CID 175646962

IUPAC2-(3,5-difluorophenyl)-5-ethynylpyridine
SMILESC#Cc1ccc(-c2cc(F)cc(F)c2)nc1
InChIInChI=1S/C13H7F2N/c1-2-9-3-4-13(16-8-9)10-5-11(14)7-12(15)6-10/h1,3-8H
InChIKeyRPBIKBVWJVXTBI-UHFFFAOYSA-N
MW215.20 g/mol
LogP3.01
Rot. Bonds1

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

2-(3,5-difluorophenyl)-5-ethynylpyridine (PubChem CID 175646962) has the molecular formula C13H7F2N and a molecular weight of 215.20 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-5-ethynylpyridine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-5-ethynylpyridine
PubChem CID175646962
Molecular FormulaC13H7F2N
Molecular Weight215.20 g/mol
Exact Mass215.05
IUPAC Name2-(3,5-difluorophenyl)-5-ethynylpyridine
SMILESC#Cc1ccc(-c2cc(F)cc(F)c2)nc1
InChIInChI=1S/C13H7F2N/c1-2-9-3-4-13(16-8-9)10-5-11(14)7-12(15)6-10/h1,3-8H
InChIKeyRPBIKBVWJVXTBI-UHFFFAOYSA-N
XLogP3.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-5-ethynylpyridine?
The IUPAC name of 2-(3,5-difluorophenyl)-5-ethynylpyridine (CID 175646962) is 2-(3,5-difluorophenyl)-5-ethynylpyridine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-5-ethynylpyridine?
The canonical SMILES for 2-(3,5-difluorophenyl)-5-ethynylpyridine is C#Cc1ccc(-c2cc(F)cc(F)c2)nc1.
What is the InChIKey of 2-(3,5-difluorophenyl)-5-ethynylpyridine?
The InChIKey is RPBIKBVWJVXTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N/c1-2-9-3-4-13(16-8-9)10-5-11(14)7-12(15)6-10/h1,3-8H.
What are the key properties of 2-(3,5-difluorophenyl)-5-ethynylpyridine?
2-(3,5-difluorophenyl)-5-ethynylpyridine has a molecular weight of 215.20 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-5-ethynylpyridine is sourced from PubChem (CID 175646962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).