2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylacetonitrile

C10H6BrN3S — CID 116833185

IUPAC2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylacetonitrile
SMILESN#CC(c1cccnn1)c1cc(Br)cs1
InChIInChI=1S/C10H6BrN3S/c11-7-4-10(15-6-7)8(5-12)9-2-1-3-13-14-9/h1-4,6,8H
InChIKeyVAIUOZFNMZGGET-UHFFFAOYSA-N
MW280.15 g/mol
LogP2.96
Rot. Bonds2

About 2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylacetonitrile

2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylacetonitrile (PubChem CID 116833185) has the molecular formula C10H6BrN3S and a molecular weight of 280.15 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylacetonitrile.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylacetonitrile
PubChem CID116833185
Molecular FormulaC10H6BrN3S
Molecular Weight280.15 g/mol
Exact Mass278.95
IUPAC Name2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylacetonitrile
SMILESN#CC(c1cccnn1)c1cc(Br)cs1
InChIInChI=1S/C10H6BrN3S/c11-7-4-10(15-6-7)8(5-12)9-2-1-3-13-14-9/h1-4,6,8H
InChIKeyVAIUOZFNMZGGET-UHFFFAOYSA-N
XLogP2.96
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylacetonitrile?
The IUPAC name of 2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylacetonitrile (CID 116833185) is 2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylacetonitrile.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylacetonitrile?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylacetonitrile is N#CC(c1cccnn1)c1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylacetonitrile?
The InChIKey is VAIUOZFNMZGGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3S/c11-7-4-10(15-6-7)8(5-12)9-2-1-3-13-14-9/h1-4,6,8H.
What are the key properties of 2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylacetonitrile?
2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylacetonitrile has a molecular weight of 280.15 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-2-pyridazin-3-ylacetonitrile is sourced from PubChem (CID 116833185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).