4-(6-methoxypyridazin-3-yl)benzonitrile

C12H9N3O — CID 16743326

IUPAC4-(6-methoxypyridazin-3-yl)benzonitrile
SMILESCOc1ccc(-c2ccc(C#N)cc2)nn1
InChIInChI=1S/C12H9N3O/c1-16-12-7-6-11(14-15-12)10-4-2-9(8-13)3-5-10/h2-7H,1H3
InChIKeyCCZZHZXGLPMNKK-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.02
Rot. Bonds2

About 4-(6-methoxypyridazin-3-yl)benzonitrile

4-(6-methoxypyridazin-3-yl)benzonitrile (PubChem CID 16743326) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-(6-methoxypyridazin-3-yl)benzonitrile.

Molecular Properties

Compound Name4-(6-methoxypyridazin-3-yl)benzonitrile
PubChem CID16743326
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name4-(6-methoxypyridazin-3-yl)benzonitrile
SMILESCOc1ccc(-c2ccc(C#N)cc2)nn1
InChIInChI=1S/C12H9N3O/c1-16-12-7-6-11(14-15-12)10-4-2-9(8-13)3-5-10/h2-7H,1H3
InChIKeyCCZZHZXGLPMNKK-UHFFFAOYSA-N
XLogP2.02
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxypyridazin-3-yl)benzonitrile?
The IUPAC name of 4-(6-methoxypyridazin-3-yl)benzonitrile (CID 16743326) is 4-(6-methoxypyridazin-3-yl)benzonitrile.
What is the SMILES notation for 4-(6-methoxypyridazin-3-yl)benzonitrile?
The canonical SMILES for 4-(6-methoxypyridazin-3-yl)benzonitrile is COc1ccc(-c2ccc(C#N)cc2)nn1.
What is the InChIKey of 4-(6-methoxypyridazin-3-yl)benzonitrile?
The InChIKey is CCZZHZXGLPMNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c1-16-12-7-6-11(14-15-12)10-4-2-9(8-13)3-5-10/h2-7H,1H3.
What are the key properties of 4-(6-methoxypyridazin-3-yl)benzonitrile?
4-(6-methoxypyridazin-3-yl)benzonitrile has a molecular weight of 211.22 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxypyridazin-3-yl)benzonitrile is sourced from PubChem (CID 16743326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).