5-acetyl-4-chloro-2-methylpyridazin-3-one

C7H7ClN2O2 — CID 170348164

IUPAC5-acetyl-4-chloro-2-methylpyridazin-3-one
SMILESCC(=O)c1cnn(C)c(=O)c1Cl
InChIInChI=1S/C7H7ClN2O2/c1-4(11)5-3-9-10(2)7(12)6(5)8/h3H,1-2H3
InChIKeyFEDJKWVNIQDCBI-UHFFFAOYSA-N
MW186.60 g/mol
LogP0.64
Rot. Bonds1

About 5-acetyl-4-chloro-2-methylpyridazin-3-one

5-acetyl-4-chloro-2-methylpyridazin-3-one (PubChem CID 170348164) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is 5-acetyl-4-chloro-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-acetyl-4-chloro-2-methylpyridazin-3-one
PubChem CID170348164
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name5-acetyl-4-chloro-2-methylpyridazin-3-one
SMILESCC(=O)c1cnn(C)c(=O)c1Cl
InChIInChI=1S/C7H7ClN2O2/c1-4(11)5-3-9-10(2)7(12)6(5)8/h3H,1-2H3
InChIKeyFEDJKWVNIQDCBI-UHFFFAOYSA-N
XLogP0.64
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-chloro-2-methylpyridazin-3-one?
The IUPAC name of 5-acetyl-4-chloro-2-methylpyridazin-3-one (CID 170348164) is 5-acetyl-4-chloro-2-methylpyridazin-3-one.
What is the SMILES notation for 5-acetyl-4-chloro-2-methylpyridazin-3-one?
The canonical SMILES for 5-acetyl-4-chloro-2-methylpyridazin-3-one is CC(=O)c1cnn(C)c(=O)c1Cl.
What is the InChIKey of 5-acetyl-4-chloro-2-methylpyridazin-3-one?
The InChIKey is FEDJKWVNIQDCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c1-4(11)5-3-9-10(2)7(12)6(5)8/h3H,1-2H3.
What are the key properties of 5-acetyl-4-chloro-2-methylpyridazin-3-one?
5-acetyl-4-chloro-2-methylpyridazin-3-one has a molecular weight of 186.60 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-chloro-2-methylpyridazin-3-one is sourced from PubChem (CID 170348164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).