4-chloro-6-oxo-1-phenylpyridazine-3-carbonitrile

C11H6ClN3O — CID 1473632

IUPAC4-chloro-6-oxo-1-phenylpyridazine-3-carbonitrile
SMILESN#Cc1nn(-c2ccccc2)c(=O)cc1Cl
InChIInChI=1S/C11H6ClN3O/c12-9-6-11(16)15(14-10(9)7-13)8-4-2-1-3-5-8/h1-6H
InChIKeyPUGMNRLWSAYJMI-UHFFFAOYSA-N
MW231.64 g/mol
LogP1.76
Rot. Bonds1

About 4-chloro-6-oxo-1-phenylpyridazine-3-carbonitrile

4-chloro-6-oxo-1-phenylpyridazine-3-carbonitrile (PubChem CID 1473632) has the molecular formula C11H6ClN3O and a molecular weight of 231.64 g/mol. Its IUPAC name is 4-chloro-6-oxo-1-phenylpyridazine-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-6-oxo-1-phenylpyridazine-3-carbonitrile
PubChem CID1473632
Molecular FormulaC11H6ClN3O
Molecular Weight231.64 g/mol
Exact Mass231.02
IUPAC Name4-chloro-6-oxo-1-phenylpyridazine-3-carbonitrile
SMILESN#Cc1nn(-c2ccccc2)c(=O)cc1Cl
InChIInChI=1S/C11H6ClN3O/c12-9-6-11(16)15(14-10(9)7-13)8-4-2-1-3-5-8/h1-6H
InChIKeyPUGMNRLWSAYJMI-UHFFFAOYSA-N
XLogP1.76
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-oxo-1-phenylpyridazine-3-carbonitrile?
The IUPAC name of 4-chloro-6-oxo-1-phenylpyridazine-3-carbonitrile (CID 1473632) is 4-chloro-6-oxo-1-phenylpyridazine-3-carbonitrile.
What is the SMILES notation for 4-chloro-6-oxo-1-phenylpyridazine-3-carbonitrile?
The canonical SMILES for 4-chloro-6-oxo-1-phenylpyridazine-3-carbonitrile is N#Cc1nn(-c2ccccc2)c(=O)cc1Cl.
What is the InChIKey of 4-chloro-6-oxo-1-phenylpyridazine-3-carbonitrile?
The InChIKey is PUGMNRLWSAYJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O/c12-9-6-11(16)15(14-10(9)7-13)8-4-2-1-3-5-8/h1-6H.
What are the key properties of 4-chloro-6-oxo-1-phenylpyridazine-3-carbonitrile?
4-chloro-6-oxo-1-phenylpyridazine-3-carbonitrile has a molecular weight of 231.64 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-oxo-1-phenylpyridazine-3-carbonitrile is sourced from PubChem (CID 1473632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).