3-chloro-5-hydroxy-2-methyl-1,5-dihydropyridazin-6-one

C5H7ClN2O2 — CID 142330789

IUPAC3-chloro-5-hydroxy-2-methyl-1,5-dihydropyridazin-6-one
SMILESCN1NC(=O)C(O)C=C1Cl
InChIInChI=1S/C5H7ClN2O2/c1-8-4(6)2-3(9)5(10)7-8/h2-3,9H,1H3,(H,7,10)
InChIKeyXZRCOQPWVVLZIE-UHFFFAOYSA-N
MW162.58 g/mol
LogP-0.60
Rot. Bonds

About 3-chloro-5-hydroxy-2-methyl-1,5-dihydropyridazin-6-one

3-chloro-5-hydroxy-2-methyl-1,5-dihydropyridazin-6-one (PubChem CID 142330789) has the molecular formula C5H7ClN2O2 and a molecular weight of 162.58 g/mol. Its IUPAC name is 3-chloro-5-hydroxy-2-methyl-1,5-dihydropyridazin-6-one.

Molecular Properties

Compound Name3-chloro-5-hydroxy-2-methyl-1,5-dihydropyridazin-6-one
PubChem CID142330789
Molecular FormulaC5H7ClN2O2
Molecular Weight162.58 g/mol
Exact Mass162.02
IUPAC Name3-chloro-5-hydroxy-2-methyl-1,5-dihydropyridazin-6-one
SMILESCN1NC(=O)C(O)C=C1Cl
InChIInChI=1S/C5H7ClN2O2/c1-8-4(6)2-3(9)5(10)7-8/h2-3,9H,1H3,(H,7,10)
InChIKeyXZRCOQPWVVLZIE-UHFFFAOYSA-N
XLogP-0.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.58
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-hydroxy-2-methyl-1,5-dihydropyridazin-6-one?
The IUPAC name of 3-chloro-5-hydroxy-2-methyl-1,5-dihydropyridazin-6-one (CID 142330789) is 3-chloro-5-hydroxy-2-methyl-1,5-dihydropyridazin-6-one.
What is the SMILES notation for 3-chloro-5-hydroxy-2-methyl-1,5-dihydropyridazin-6-one?
The canonical SMILES for 3-chloro-5-hydroxy-2-methyl-1,5-dihydropyridazin-6-one is CN1NC(=O)C(O)C=C1Cl.
What is the InChIKey of 3-chloro-5-hydroxy-2-methyl-1,5-dihydropyridazin-6-one?
The InChIKey is XZRCOQPWVVLZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2O2/c1-8-4(6)2-3(9)5(10)7-8/h2-3,9H,1H3,(H,7,10).
What are the key properties of 3-chloro-5-hydroxy-2-methyl-1,5-dihydropyridazin-6-one?
3-chloro-5-hydroxy-2-methyl-1,5-dihydropyridazin-6-one has a molecular weight of 162.58 g/mol, XLogP of -0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-hydroxy-2-methyl-1,5-dihydropyridazin-6-one is sourced from PubChem (CID 142330789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).