6-(4-chlorophenyl)-2-ethyl-4-(hydroxymethyl)pyridazin-3-one

C13H13ClN2O2 — CID 82444930

IUPAC6-(4-chlorophenyl)-2-ethyl-4-(hydroxymethyl)pyridazin-3-one
SMILESCCn1nc(-c2ccc(Cl)cc2)cc(CO)c1=O
InChIInChI=1S/C13H13ClN2O2/c1-2-16-13(18)10(8-17)7-12(15-16)9-3-5-11(14)6-4-9/h3-7,17H,2,8H2,1H3
InChIKeyYUDMTAVQUPYPLB-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.08
Rot. Bonds3

About 6-(4-chlorophenyl)-2-ethyl-4-(hydroxymethyl)pyridazin-3-one

6-(4-chlorophenyl)-2-ethyl-4-(hydroxymethyl)pyridazin-3-one (PubChem CID 82444930) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-ethyl-4-(hydroxymethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-ethyl-4-(hydroxymethyl)pyridazin-3-one
PubChem CID82444930
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name6-(4-chlorophenyl)-2-ethyl-4-(hydroxymethyl)pyridazin-3-one
SMILESCCn1nc(-c2ccc(Cl)cc2)cc(CO)c1=O
InChIInChI=1S/C13H13ClN2O2/c1-2-16-13(18)10(8-17)7-12(15-16)9-3-5-11(14)6-4-9/h3-7,17H,2,8H2,1H3
InChIKeyYUDMTAVQUPYPLB-UHFFFAOYSA-N
XLogP2.08
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-ethyl-4-(hydroxymethyl)pyridazin-3-one?
The IUPAC name of 6-(4-chlorophenyl)-2-ethyl-4-(hydroxymethyl)pyridazin-3-one (CID 82444930) is 6-(4-chlorophenyl)-2-ethyl-4-(hydroxymethyl)pyridazin-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-ethyl-4-(hydroxymethyl)pyridazin-3-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-ethyl-4-(hydroxymethyl)pyridazin-3-one is CCn1nc(-c2ccc(Cl)cc2)cc(CO)c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-2-ethyl-4-(hydroxymethyl)pyridazin-3-one?
The InChIKey is YUDMTAVQUPYPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-2-16-13(18)10(8-17)7-12(15-16)9-3-5-11(14)6-4-9/h3-7,17H,2,8H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-2-ethyl-4-(hydroxymethyl)pyridazin-3-one?
6-(4-chlorophenyl)-2-ethyl-4-(hydroxymethyl)pyridazin-3-one has a molecular weight of 264.71 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-ethyl-4-(hydroxymethyl)pyridazin-3-one is sourced from PubChem (CID 82444930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).