2-[2-(2-chloroethoxy)ethyl]-5-methylpyridazin-3-one

C9H13ClN2O2 — CID 106548467

IUPAC2-[2-(2-chloroethoxy)ethyl]-5-methylpyridazin-3-one
SMILESCc1cnn(CCOCCCl)c(=O)c1
InChIInChI=1S/C9H13ClN2O2/c1-8-6-9(13)12(11-7-8)3-5-14-4-2-10/h6-7H,2-5H2,1H3
InChIKeyXPMJMIIVARQWSY-UHFFFAOYSA-N
MW216.67 g/mol
LogP0.81
Rot. Bonds5

About 2-[2-(2-chloroethoxy)ethyl]-5-methylpyridazin-3-one

2-[2-(2-chloroethoxy)ethyl]-5-methylpyridazin-3-one (PubChem CID 106548467) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 2-[2-(2-chloroethoxy)ethyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-chloroethoxy)ethyl]-5-methylpyridazin-3-one
PubChem CID106548467
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name2-[2-(2-chloroethoxy)ethyl]-5-methylpyridazin-3-one
SMILESCc1cnn(CCOCCCl)c(=O)c1
InChIInChI=1S/C9H13ClN2O2/c1-8-6-9(13)12(11-7-8)3-5-14-4-2-10/h6-7H,2-5H2,1H3
InChIKeyXPMJMIIVARQWSY-UHFFFAOYSA-N
XLogP0.81
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(2-methoxyethyl)pyridazin-3(2H)-one
CID 66866737
2-(2-Methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
2-[2-(2-Chloroethoxy)ethyl]pyridazin-3-one
CID 63664398
2-(3-Chloro-2-hydroxypropyl)-5-methylpyridazin-3-one
CID 106548475
2-[2-(2-Aminoethoxy)ethyl]-5-methylpyridazin-3-one
CID 106548741
2-[2-(2-Chloroethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one
CID 114394233
2-[2-(2-Chloroethoxy)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394318
2-[2-(2-Chloroethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394342
2-[2-(2-Chloroethoxy)ethyl]-5-(diethylamino)pyridazin-3-one
CID 114394368
2-(2-Methoxypropyl)-5-methylpyridazin-3-one
CID 130634745

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloroethoxy)ethyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[2-(2-chloroethoxy)ethyl]-5-methylpyridazin-3-one (CID 106548467) is 2-[2-(2-chloroethoxy)ethyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(2-chloroethoxy)ethyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(2-chloroethoxy)ethyl]-5-methylpyridazin-3-one is Cc1cnn(CCOCCCl)c(=O)c1.
What is the InChIKey of 2-[2-(2-chloroethoxy)ethyl]-5-methylpyridazin-3-one?
The InChIKey is XPMJMIIVARQWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-8-6-9(13)12(11-7-8)3-5-14-4-2-10/h6-7H,2-5H2,1H3.
What are the key properties of 2-[2-(2-chloroethoxy)ethyl]-5-methylpyridazin-3-one?
2-[2-(2-chloroethoxy)ethyl]-5-methylpyridazin-3-one has a molecular weight of 216.67 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloroethoxy)ethyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).