2-butyl-6-chloropyridazin-3-one

C8H11ClN2O — CID 23555512

IUPAC2-butyl-6-chloropyridazin-3-one
SMILESCCCCn1nc(Cl)ccc1=O
InChIInChI=1S/C8H11ClN2O/c1-2-3-6-11-8(12)5-4-7(9)10-11/h4-5H,2-3,6H2,1H3
InChIKeyKVBWREZZQVLYRD-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.70
Rot. Bonds3

About 2-butyl-6-chloropyridazin-3-one

2-butyl-6-chloropyridazin-3-one (PubChem CID 23555512) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-butyl-6-chloropyridazin-3-one.

Molecular Properties

Compound Name2-butyl-6-chloropyridazin-3-one
PubChem CID23555512
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2-butyl-6-chloropyridazin-3-one
SMILESCCCCn1nc(Cl)ccc1=O
InChIInChI=1S/C8H11ClN2O/c1-2-3-6-11-8(12)5-4-7(9)10-11/h4-5H,2-3,6H2,1H3
InChIKeyKVBWREZZQVLYRD-UHFFFAOYSA-N
XLogP1.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-chloropyridazin-3-one?
The IUPAC name of 2-butyl-6-chloropyridazin-3-one (CID 23555512) is 2-butyl-6-chloropyridazin-3-one.
What is the SMILES notation for 2-butyl-6-chloropyridazin-3-one?
The canonical SMILES for 2-butyl-6-chloropyridazin-3-one is CCCCn1nc(Cl)ccc1=O.
What is the InChIKey of 2-butyl-6-chloropyridazin-3-one?
The InChIKey is KVBWREZZQVLYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-2-3-6-11-8(12)5-4-7(9)10-11/h4-5H,2-3,6H2,1H3.
What are the key properties of 2-butyl-6-chloropyridazin-3-one?
2-butyl-6-chloropyridazin-3-one has a molecular weight of 186.64 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-chloropyridazin-3-one is sourced from PubChem (CID 23555512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).