4,5-dichloro-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one

C13H10Cl2N2O3 — CID 7419620

IUPAC4,5-dichloro-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
SMILESCOc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C13H10Cl2N2O3/c1-20-9-4-2-8(3-5-9)11(18)7-17-13(19)12(15)10(14)6-16-17/h2-6H,7H2,1H3
InChIKeyGRTQUDDXRUDZIS-UHFFFAOYSA-N
MW313.14 g/mol
LogP2.44
Rot. Bonds4

About 4,5-dichloro-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one

4,5-dichloro-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one (PubChem CID 7419620) has the molecular formula C13H10Cl2N2O3 and a molecular weight of 313.14 g/mol. Its IUPAC name is 4,5-dichloro-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
PubChem CID7419620
Molecular FormulaC13H10Cl2N2O3
Molecular Weight313.14 g/mol
Exact Mass312.01
IUPAC Name4,5-dichloro-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
SMILESCOc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C13H10Cl2N2O3/c1-20-9-4-2-8(3-5-9)11(18)7-17-13(19)12(15)10(14)6-16-17/h2-6H,7H2,1H3
InChIKeyGRTQUDDXRUDZIS-UHFFFAOYSA-N
XLogP2.44
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one (CID 7419620) is 4,5-dichloro-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one is COc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1.
What is the InChIKey of 4,5-dichloro-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one?
The InChIKey is GRTQUDDXRUDZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O3/c1-20-9-4-2-8(3-5-9)11(18)7-17-13(19)12(15)10(14)6-16-17/h2-6H,7H2,1H3.
What are the key properties of 4,5-dichloro-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one?
4,5-dichloro-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 313.14 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 7419620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).