4-pyridazin-3-yloxybenzonitrile

C11H7N3O — CID 57402654

IUPAC4-pyridazin-3-yloxybenzonitrile
SMILESN#Cc1ccc(Oc2cccnn2)cc1
InChIInChI=1S/C11H7N3O/c12-8-9-3-5-10(6-4-9)15-11-2-1-7-13-14-11/h1-7H
InChIKeyQBENUVCASQTNHQ-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.14
Rot. Bonds2

About 4-pyridazin-3-yloxybenzonitrile

4-pyridazin-3-yloxybenzonitrile (PubChem CID 57402654) has the molecular formula C11H7N3O and a molecular weight of 197.20 g/mol. Its IUPAC name is 4-pyridazin-3-yloxybenzonitrile.

Molecular Properties

Compound Name4-pyridazin-3-yloxybenzonitrile
PubChem CID57402654
Molecular FormulaC11H7N3O
Molecular Weight197.20 g/mol
Exact Mass197.06
IUPAC Name4-pyridazin-3-yloxybenzonitrile
SMILESN#Cc1ccc(Oc2cccnn2)cc1
InChIInChI=1S/C11H7N3O/c12-8-9-3-5-10(6-4-9)15-11-2-1-7-13-14-11/h1-7H
InChIKeyQBENUVCASQTNHQ-UHFFFAOYSA-N
XLogP2.14
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-(Benzyloxy)pyridazin-4-yl)benzonitrile
CID 10469293
Credazine
CID 26715
3-(6-Ethoxy-pyridazin-4-yl)-benzonitrile
CID 11629964
4-(6-Phenylpyridazin-3-yl)oxybenzonitrile
CID 155547414
1-(4-Methoxyphenyl)-2-(4-pyridazynyl)ethylene
CID 5376016
3-Phenoxypyridazine
CID 599070
3-(4-Methoxyphenyl)pyridazine
CID 59738576
5-Chloro-3-(phenylmethoxy)pyridazine
CID 129075145
6-(3-Fluoro-4-methylphenoxy)pyridazine-3-carbonitrile
CID 100732189
5-Methyl-3-[(3-methylphenyl)methoxy]pyridazine
CID 121581549
3-[2-(Trifluoromethyl)phenoxy]pyridazine
CID 67521498
3-[3-(Trifluoromethyl)phenoxy]pyridazine
CID 67521971

Frequently Asked Questions

What is the IUPAC name of 4-pyridazin-3-yloxybenzonitrile?
The IUPAC name of 4-pyridazin-3-yloxybenzonitrile (CID 57402654) is 4-pyridazin-3-yloxybenzonitrile.
What is the SMILES notation for 4-pyridazin-3-yloxybenzonitrile?
The canonical SMILES for 4-pyridazin-3-yloxybenzonitrile is N#Cc1ccc(Oc2cccnn2)cc1.
What is the InChIKey of 4-pyridazin-3-yloxybenzonitrile?
The InChIKey is QBENUVCASQTNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O/c12-8-9-3-5-10(6-4-9)15-11-2-1-7-13-14-11/h1-7H.
What are the key properties of 4-pyridazin-3-yloxybenzonitrile?
4-pyridazin-3-yloxybenzonitrile has a molecular weight of 197.20 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridazin-3-yloxybenzonitrile is sourced from PubChem (CID 57402654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).