5-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpyridazin-3-one

C13H10Cl2N2O2 — CID 166162785

IUPAC5-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpyridazin-3-one
SMILESCc1c(Cl)cnn(CC(=O)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C13H10Cl2N2O2/c1-8-11(15)6-16-17(13(8)19)7-12(18)9-2-4-10(14)5-3-9/h2-6H,7H2,1H3
InChIKeyIAHZKOAPJVUNBF-UHFFFAOYSA-N
MW297.14 g/mol
LogP2.74
Rot. Bonds3

About 5-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpyridazin-3-one

5-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpyridazin-3-one (PubChem CID 166162785) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 5-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpyridazin-3-one
PubChem CID166162785
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name5-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpyridazin-3-one
SMILESCc1c(Cl)cnn(CC(=O)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C13H10Cl2N2O2/c1-8-11(15)6-16-17(13(8)19)7-12(18)9-2-4-10(14)5-3-9/h2-6H,7H2,1H3
InChIKeyIAHZKOAPJVUNBF-UHFFFAOYSA-N
XLogP2.74
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 900971
CID 900971
CID 3746696
CID 3746696
CID 1474952
CID 1474952
CID 1474953
CID 1474953
CID 2471413
CID 2471413
CID 901045
CID 901045
CID 1474957
CID 1474957
CID 2452801
CID 2452801
CID 9570386
CID 9570386
CID 9570413
CID 9570413
CID 3007390
CID 3007390
CID 3007391
CID 3007391

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpyridazin-3-one?
The IUPAC name of 5-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpyridazin-3-one (CID 166162785) is 5-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpyridazin-3-one.
What is the SMILES notation for 5-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpyridazin-3-one?
The canonical SMILES for 5-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpyridazin-3-one is Cc1c(Cl)cnn(CC(=O)c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 5-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpyridazin-3-one?
The InChIKey is IAHZKOAPJVUNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c1-8-11(15)6-16-17(13(8)19)7-12(18)9-2-4-10(14)5-3-9/h2-6H,7H2,1H3.
What are the key properties of 5-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpyridazin-3-one?
5-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpyridazin-3-one has a molecular weight of 297.14 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpyridazin-3-one is sourced from PubChem (CID 166162785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).