4-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one

C12H11ClN2O2 — CID 130459323

IUPAC4-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C)c1-c1ccc(O)cc1Cl
InChIInChI=1S/C12H11ClN2O2/c1-6-11(7(2)14-15-12(6)17)9-4-3-8(16)5-10(9)13/h3-5,16H,1-2H3,(H,15,17)
InChIKeyJVAIWAQWIHJGOD-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.41
Rot. Bonds1

About 4-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one

4-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one (PubChem CID 130459323) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 4-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one
PubChem CID130459323
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name4-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C)c1-c1ccc(O)cc1Cl
InChIInChI=1S/C12H11ClN2O2/c1-6-11(7(2)14-15-12(6)17)9-4-3-8(16)5-10(9)13/h3-5,16H,1-2H3,(H,15,17)
InChIKeyJVAIWAQWIHJGOD-UHFFFAOYSA-N
XLogP2.41
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one?
The IUPAC name of 4-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one (CID 130459323) is 4-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one?
The canonical SMILES for 4-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one is Cc1n[nH]c(=O)c(C)c1-c1ccc(O)cc1Cl.
What is the InChIKey of 4-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one?
The InChIKey is JVAIWAQWIHJGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-6-11(7(2)14-15-12(6)17)9-4-3-8(16)5-10(9)13/h3-5,16H,1-2H3,(H,15,17).
What are the key properties of 4-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one?
4-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one has a molecular weight of 250.69 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one is sourced from PubChem (CID 130459323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).