2-(2-fluorophenyl)-2-pyridazin-3-ylacetonitrile

C12H8FN3 — CID 15637038

IUPAC2-(2-fluorophenyl)-2-pyridazin-3-ylacetonitrile
SMILESN#CC(c1cccnn1)c1ccccc1F
InChIInChI=1S/C12H8FN3/c13-11-5-2-1-4-9(11)10(8-14)12-6-3-7-15-16-12/h1-7,10H
InChIKeyGUEADXGXLXHFHY-UHFFFAOYSA-N
MW213.22 g/mol
LogP2.27
Rot. Bonds2

About 2-(2-fluorophenyl)-2-pyridazin-3-ylacetonitrile

2-(2-fluorophenyl)-2-pyridazin-3-ylacetonitrile (PubChem CID 15637038) has the molecular formula C12H8FN3 and a molecular weight of 213.22 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-pyridazin-3-ylacetonitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-pyridazin-3-ylacetonitrile
PubChem CID15637038
Molecular FormulaC12H8FN3
Molecular Weight213.22 g/mol
Exact Mass213.07
IUPAC Name2-(2-fluorophenyl)-2-pyridazin-3-ylacetonitrile
SMILESN#CC(c1cccnn1)c1ccccc1F
InChIInChI=1S/C12H8FN3/c13-11-5-2-1-4-9(11)10(8-14)12-6-3-7-15-16-12/h1-7,10H
InChIKeyGUEADXGXLXHFHY-UHFFFAOYSA-N
XLogP2.27
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Phenylpyridazine
CID 193499
3-Methyl-5-phenylpyridazine
CID 2736934
3-[6-(3,4-Difluoro-phenyl)-pyridazin-4-yl]-benzonitrile
CID 10379616
3-(6-Phenyl-pyridazin-4-yl)-benzonitrile
CID 10400221
3-[6-(3-Fluoro-phenyl)-pyridazin-4-yl]-benzonitrile
CID 10401160
3-[6-(2-Fluoro-phenyl)-pyridazin-4-yl]-benzonitrile
CID 10401161
3-[6-(4-Fluoro-phenyl)-pyridazin-4-yl]-benzonitrile
CID 10401162
3-[6-(2,4-Difluoro-phenyl)-pyridazin-4-yl]-benzonitrile
CID 10424461
3,5-Diphenylpyridazine
CID 10443943
NBI-2 (non-labeled)
CID 11702115
4-Phenylpyridazine
CID 6401329
4-(6-Phenyl-pyridazin-4-yl)-benzonitrile
CID 11521728

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-pyridazin-3-ylacetonitrile?
The IUPAC name of 2-(2-fluorophenyl)-2-pyridazin-3-ylacetonitrile (CID 15637038) is 2-(2-fluorophenyl)-2-pyridazin-3-ylacetonitrile.
What is the SMILES notation for 2-(2-fluorophenyl)-2-pyridazin-3-ylacetonitrile?
The canonical SMILES for 2-(2-fluorophenyl)-2-pyridazin-3-ylacetonitrile is N#CC(c1cccnn1)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-2-pyridazin-3-ylacetonitrile?
The InChIKey is GUEADXGXLXHFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3/c13-11-5-2-1-4-9(11)10(8-14)12-6-3-7-15-16-12/h1-7,10H.
What are the key properties of 2-(2-fluorophenyl)-2-pyridazin-3-ylacetonitrile?
2-(2-fluorophenyl)-2-pyridazin-3-ylacetonitrile has a molecular weight of 213.22 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-pyridazin-3-ylacetonitrile is sourced from PubChem (CID 15637038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).