3-(3-chloro-4-ethylphenyl)-1H-pyridazin-6-one

C12H11ClN2O — CID 21406312

IUPAC3-(3-chloro-4-ethylphenyl)-1H-pyridazin-6-one
SMILESCCc1ccc(-c2ccc(=O)[nH]n2)cc1Cl
InChIInChI=1S/C12H11ClN2O/c1-2-8-3-4-9(7-10(8)13)11-5-6-12(16)15-14-11/h3-7H,2H2,1H3,(H,15,16)
InChIKeyVLMVSRNELVLIHQ-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.65
Rot. Bonds2

About 3-(3-chloro-4-ethylphenyl)-1H-pyridazin-6-one

3-(3-chloro-4-ethylphenyl)-1H-pyridazin-6-one (PubChem CID 21406312) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 3-(3-chloro-4-ethylphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-chloro-4-ethylphenyl)-1H-pyridazin-6-one
PubChem CID21406312
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name3-(3-chloro-4-ethylphenyl)-1H-pyridazin-6-one
SMILESCCc1ccc(-c2ccc(=O)[nH]n2)cc1Cl
InChIInChI=1S/C12H11ClN2O/c1-2-8-3-4-9(7-10(8)13)11-5-6-12(16)15-14-11/h3-7H,2H2,1H3,(H,15,16)
InChIKeyVLMVSRNELVLIHQ-UHFFFAOYSA-N
XLogP2.65
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-ethylphenyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(3-chloro-4-ethylphenyl)-1H-pyridazin-6-one (CID 21406312) is 3-(3-chloro-4-ethylphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-chloro-4-ethylphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-chloro-4-ethylphenyl)-1H-pyridazin-6-one is CCc1ccc(-c2ccc(=O)[nH]n2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-ethylphenyl)-1H-pyridazin-6-one?
The InChIKey is VLMVSRNELVLIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-2-8-3-4-9(7-10(8)13)11-5-6-12(16)15-14-11/h3-7H,2H2,1H3,(H,15,16).
What are the key properties of 3-(3-chloro-4-ethylphenyl)-1H-pyridazin-6-one?
3-(3-chloro-4-ethylphenyl)-1H-pyridazin-6-one has a molecular weight of 234.69 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-ethylphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 21406312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).