6-(5-chloro-2-ethoxyphenyl)-2-methylpyridazin-3-one

C13H13ClN2O2 — CID 121497912

IUPAC6-(5-chloro-2-ethoxyphenyl)-2-methylpyridazin-3-one
SMILESCCOc1ccc(Cl)cc1-c1ccc(=O)n(C)n1
InChIInChI=1S/C13H13ClN2O2/c1-3-18-12-6-4-9(14)8-10(12)11-5-7-13(17)16(2)15-11/h4-8H,3H2,1-2H3
InChIKeyPSTBDBRVLXLJOI-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.50
Rot. Bonds3

About 6-(5-chloro-2-ethoxyphenyl)-2-methylpyridazin-3-one

6-(5-chloro-2-ethoxyphenyl)-2-methylpyridazin-3-one (PubChem CID 121497912) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 6-(5-chloro-2-ethoxyphenyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(5-chloro-2-ethoxyphenyl)-2-methylpyridazin-3-one
PubChem CID121497912
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name6-(5-chloro-2-ethoxyphenyl)-2-methylpyridazin-3-one
SMILESCCOc1ccc(Cl)cc1-c1ccc(=O)n(C)n1
InChIInChI=1S/C13H13ClN2O2/c1-3-18-12-6-4-9(14)8-10(12)11-5-7-13(17)16(2)15-11/h4-8H,3H2,1-2H3
InChIKeyPSTBDBRVLXLJOI-UHFFFAOYSA-N
XLogP2.50
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-ethoxyphenyl)-2-methylpyridazin-3-one
CID 7660164
6-(3-chlorophenyl)-2-methylpyridazin-3-one
CID 102592574
6-(5-chloro-2-methoxyphenyl)-2-methyl-4-(sulfanylmethyl)pyridazin-3-one
CID 82444558
1-[4-(5-chloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 5239205
3-(5-chloro-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117378006
6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one
CID 7659900
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-3,4-diethoxybenzamide
CID 41241080
3-(1-methyl-6-oxopyridazin-3-yl)-4-phenoxybenzoic acid
CID 90017764
3-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one
CID 106514741
5-chloro-2-ethoxybenzenethiol
CID 91656523
4-(5-bromo-2-ethoxyphenyl)-6-chloropyrimidin-2-amine
CID 86004337
3-(1-methyl-6-oxopyridazin-3-yl)-4-phenoxybenzamide
CID 90017256

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-ethoxyphenyl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(5-chloro-2-ethoxyphenyl)-2-methylpyridazin-3-one (CID 121497912) is 6-(5-chloro-2-ethoxyphenyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(5-chloro-2-ethoxyphenyl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(5-chloro-2-ethoxyphenyl)-2-methylpyridazin-3-one is CCOc1ccc(Cl)cc1-c1ccc(=O)n(C)n1.
What is the InChIKey of 6-(5-chloro-2-ethoxyphenyl)-2-methylpyridazin-3-one?
The InChIKey is PSTBDBRVLXLJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-3-18-12-6-4-9(14)8-10(12)11-5-7-13(17)16(2)15-11/h4-8H,3H2,1-2H3.
What are the key properties of 6-(5-chloro-2-ethoxyphenyl)-2-methylpyridazin-3-one?
6-(5-chloro-2-ethoxyphenyl)-2-methylpyridazin-3-one has a molecular weight of 264.71 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-ethoxyphenyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 121497912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).