2-fluoro-2-[(Z)-2-(2-fluoro-1H-pyridin-2-yl)ethenyl]-1H-pyridine

C12H12F2N2 — CID 67600336

IUPAC2-fluoro-2-[(Z)-2-(2-fluoro-1H-pyridin-2-yl)ethenyl]-1H-pyridine
SMILESFC1(/C=C\C2(F)C=CC=CN2)C=CC=CN1
InChIInChI=1S/C12H12F2N2/c13-11(5-1-3-9-15-11)7-8-12(14)6-2-4-10-16-12/h1-10,15-16H/b8-7-
InChIKeyYRUZPKQSHGUECC-FPLPWBNLSA-N
MW222.24 g/mol
LogP2.22
Rot. Bonds2

About 2-fluoro-2-[(Z)-2-(2-fluoro-1H-pyridin-2-yl)ethenyl]-1H-pyridine

2-fluoro-2-[(Z)-2-(2-fluoro-1H-pyridin-2-yl)ethenyl]-1H-pyridine (PubChem CID 67600336) has the molecular formula C12H12F2N2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-fluoro-2-[(Z)-2-(2-fluoro-1H-pyridin-2-yl)ethenyl]-1H-pyridine.

Molecular Properties

Compound Name2-fluoro-2-[(Z)-2-(2-fluoro-1H-pyridin-2-yl)ethenyl]-1H-pyridine
PubChem CID67600336
Molecular FormulaC12H12F2N2
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-fluoro-2-[(Z)-2-(2-fluoro-1H-pyridin-2-yl)ethenyl]-1H-pyridine
SMILESFC1(/C=C\C2(F)C=CC=CN2)C=CC=CN1
InChIInChI=1S/C12H12F2N2/c13-11(5-1-3-9-15-11)7-8-12(14)6-2-4-10-16-12/h1-10,15-16H/b8-7-
InChIKeyYRUZPKQSHGUECC-FPLPWBNLSA-N
XLogP2.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[(Z)-2-(2-fluoro-1H-pyridin-2-yl)ethenyl]-1H-pyridine?
The IUPAC name of 2-fluoro-2-[(Z)-2-(2-fluoro-1H-pyridin-2-yl)ethenyl]-1H-pyridine (CID 67600336) is 2-fluoro-2-[(Z)-2-(2-fluoro-1H-pyridin-2-yl)ethenyl]-1H-pyridine.
What is the SMILES notation for 2-fluoro-2-[(Z)-2-(2-fluoro-1H-pyridin-2-yl)ethenyl]-1H-pyridine?
The canonical SMILES for 2-fluoro-2-[(Z)-2-(2-fluoro-1H-pyridin-2-yl)ethenyl]-1H-pyridine is FC1(/C=C\C2(F)C=CC=CN2)C=CC=CN1.
What is the InChIKey of 2-fluoro-2-[(Z)-2-(2-fluoro-1H-pyridin-2-yl)ethenyl]-1H-pyridine?
The InChIKey is YRUZPKQSHGUECC-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H12F2N2/c13-11(5-1-3-9-15-11)7-8-12(14)6-2-4-10-16-12/h1-10,15-16H/b8-7-.
What are the key properties of 2-fluoro-2-[(Z)-2-(2-fluoro-1H-pyridin-2-yl)ethenyl]-1H-pyridine?
2-fluoro-2-[(Z)-2-(2-fluoro-1H-pyridin-2-yl)ethenyl]-1H-pyridine has a molecular weight of 222.24 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[(Z)-2-(2-fluoro-1H-pyridin-2-yl)ethenyl]-1H-pyridine is sourced from PubChem (CID 67600336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).