2-(4-chlorophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile

C12H7Cl2N3 — CID 6413172

IUPAC2-(4-chlorophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile
SMILESN#CC(c1ccc(Cl)cc1)c1ccc(Cl)nn1
InChIInChI=1S/C12H7Cl2N3/c13-9-3-1-8(2-4-9)10(7-15)11-5-6-12(14)17-16-11/h1-6,10H
InChIKeyFACWDHXHOZSBKO-UHFFFAOYSA-N
MW264.12 g/mol
LogP3.44
Rot. Bonds2

About 2-(4-chlorophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile

2-(4-chlorophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile (PubChem CID 6413172) has the molecular formula C12H7Cl2N3 and a molecular weight of 264.12 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile
PubChem CID6413172
Molecular FormulaC12H7Cl2N3
Molecular Weight264.12 g/mol
Exact Mass263.00
IUPAC Name2-(4-chlorophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile
SMILESN#CC(c1ccc(Cl)cc1)c1ccc(Cl)nn1
InChIInChI=1S/C12H7Cl2N3/c13-9-3-1-8(2-4-9)10(7-15)11-5-6-12(14)17-16-11/h1-6,10H
InChIKeyFACWDHXHOZSBKO-UHFFFAOYSA-N
XLogP3.44
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile?
The IUPAC name of 2-(4-chlorophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile (CID 6413172) is 2-(4-chlorophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile?
The canonical SMILES for 2-(4-chlorophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile is N#CC(c1ccc(Cl)cc1)c1ccc(Cl)nn1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile?
The InChIKey is FACWDHXHOZSBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3/c13-9-3-1-8(2-4-9)10(7-15)11-5-6-12(14)17-16-11/h1-6,10H.
What are the key properties of 2-(4-chlorophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile?
2-(4-chlorophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile has a molecular weight of 264.12 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile is sourced from PubChem (CID 6413172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).