3-(2-chlorophenoxy)-6-phenylpyridazine-4-carbonitrile

C17H10ClN3O — CID 6404528

IUPAC3-(2-chlorophenoxy)-6-phenylpyridazine-4-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)nnc1Oc1ccccc1Cl
InChIInChI=1S/C17H10ClN3O/c18-14-8-4-5-9-16(14)22-17-13(11-19)10-15(20-21-17)12-6-2-1-3-7-12/h1-10H
InChIKeyPLXKEYOPSJYORM-UHFFFAOYSA-N
MW307.74 g/mol
LogP4.46
Rot. Bonds3

About 3-(2-chlorophenoxy)-6-phenylpyridazine-4-carbonitrile

3-(2-chlorophenoxy)-6-phenylpyridazine-4-carbonitrile (PubChem CID 6404528) has the molecular formula C17H10ClN3O and a molecular weight of 307.74 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-6-phenylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-6-phenylpyridazine-4-carbonitrile
PubChem CID6404528
Molecular FormulaC17H10ClN3O
Molecular Weight307.74 g/mol
Exact Mass307.05
IUPAC Name3-(2-chlorophenoxy)-6-phenylpyridazine-4-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)nnc1Oc1ccccc1Cl
InChIInChI=1S/C17H10ClN3O/c18-14-8-4-5-9-16(14)22-17-13(11-19)10-15(20-21-17)12-6-2-1-3-7-12/h1-10H
InChIKeyPLXKEYOPSJYORM-UHFFFAOYSA-N
XLogP4.46
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-6-phenylpyridazine-4-carbonitrile?
The IUPAC name of 3-(2-chlorophenoxy)-6-phenylpyridazine-4-carbonitrile (CID 6404528) is 3-(2-chlorophenoxy)-6-phenylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(2-chlorophenoxy)-6-phenylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(2-chlorophenoxy)-6-phenylpyridazine-4-carbonitrile is N#Cc1cc(-c2ccccc2)nnc1Oc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenoxy)-6-phenylpyridazine-4-carbonitrile?
The InChIKey is PLXKEYOPSJYORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3O/c18-14-8-4-5-9-16(14)22-17-13(11-19)10-15(20-21-17)12-6-2-1-3-7-12/h1-10H.
What are the key properties of 3-(2-chlorophenoxy)-6-phenylpyridazine-4-carbonitrile?
3-(2-chlorophenoxy)-6-phenylpyridazine-4-carbonitrile has a molecular weight of 307.74 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-6-phenylpyridazine-4-carbonitrile is sourced from PubChem (CID 6404528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).