2-fluoro-3-[1-(2-fluoro-3-pyridinyl)ethenyl]pyridine

C12H8F2N2 — CID 56977982

IUPAC2-fluoro-3-[1-(2-fluoro-3-pyridinyl)ethenyl]pyridine
SMILESC=C(c1cccnc1F)c1cccnc1F
InChIInChI=1S/C12H8F2N2/c1-8(9-4-2-6-15-11(9)13)10-5-3-7-16-12(10)14/h2-7H,1H2
InChIKeyAZAQQEJYAJJOFV-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.82
Rot. Bonds2

About 2-fluoro-3-[1-(2-fluoro-3-pyridinyl)ethenyl]pyridine

2-fluoro-3-[1-(2-fluoro-3-pyridinyl)ethenyl]pyridine (PubChem CID 56977982) has the molecular formula C12H8F2N2 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-fluoro-3-[1-(2-fluoro-3-pyridinyl)ethenyl]pyridine.

Molecular Properties

Compound Name2-fluoro-3-[1-(2-fluoro-3-pyridinyl)ethenyl]pyridine
PubChem CID56977982
Molecular FormulaC12H8F2N2
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-fluoro-3-[1-(2-fluoro-3-pyridinyl)ethenyl]pyridine
SMILESC=C(c1cccnc1F)c1cccnc1F
InChIInChI=1S/C12H8F2N2/c1-8(9-4-2-6-15-11(9)13)10-5-3-7-16-12(10)14/h2-7H,1H2
InChIKeyAZAQQEJYAJJOFV-UHFFFAOYSA-N
XLogP2.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-fluoro-3-[1-(2-fluoro-3-pyridinyl)ethenyl]pyridine?
The IUPAC name of 2-fluoro-3-[1-(2-fluoro-3-pyridinyl)ethenyl]pyridine (CID 56977982) is 2-fluoro-3-[1-(2-fluoro-3-pyridinyl)ethenyl]pyridine.
What is the SMILES notation for 2-fluoro-3-[1-(2-fluoro-3-pyridinyl)ethenyl]pyridine?
The canonical SMILES for 2-fluoro-3-[1-(2-fluoro-3-pyridinyl)ethenyl]pyridine is C=C(c1cccnc1F)c1cccnc1F.
What is the InChIKey of 2-fluoro-3-[1-(2-fluoro-3-pyridinyl)ethenyl]pyridine?
The InChIKey is AZAQQEJYAJJOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2/c1-8(9-4-2-6-15-11(9)13)10-5-3-7-16-12(10)14/h2-7H,1H2.
What are the key properties of 2-fluoro-3-[1-(2-fluoro-3-pyridinyl)ethenyl]pyridine?
2-fluoro-3-[1-(2-fluoro-3-pyridinyl)ethenyl]pyridine has a molecular weight of 218.21 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[1-(2-fluoro-3-pyridinyl)ethenyl]pyridine is sourced from PubChem (CID 56977982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).