4-chloro-5-hydroxy-2-(2-methylpropyl)pyridazin-3-one

C8H11ClN2O2 — CID 67364897

IUPAC4-chloro-5-hydroxy-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(O)c(Cl)c1=O
InChIInChI=1S/C8H11ClN2O2/c1-5(2)4-11-8(13)7(9)6(12)3-10-11/h3,5,12H,4H2,1-2H3
InChIKeyHKHRRXALFFAIQG-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.26
Rot. Bonds2

About 4-chloro-5-hydroxy-2-(2-methylpropyl)pyridazin-3-one

4-chloro-5-hydroxy-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 67364897) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 4-chloro-5-hydroxy-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-hydroxy-2-(2-methylpropyl)pyridazin-3-one
PubChem CID67364897
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name4-chloro-5-hydroxy-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(O)c(Cl)c1=O
InChIInChI=1S/C8H11ClN2O2/c1-5(2)4-11-8(13)7(9)6(12)3-10-11/h3,5,12H,4H2,1-2H3
InChIKeyHKHRRXALFFAIQG-UHFFFAOYSA-N
XLogP1.26
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-5-hydroxy-2-methylpyridazin-3(2H)-one
CID 54695798
4-chloro-5-methoxy-2-propyl-3(2H)-pyridazinone
CID 2223565
2-Butyl-4-chloro-5-hydroxypyridazin-3(2H)-one
CID 54683701
2-tert-Butyl-4-chloro-5-hydroxypyridazin-3(2H)-one
CID 54686946
4-chloro-2-hexyl-5-hydroxy-3(2H)-pyridazinone
CID 54682078
4-chloro-5-hydroxy-2-pentyl-3(2H)-pyridazinone
CID 54683702
4-chloro-5-hydroxy-2-octyl-3(2H)-pyridazinone
CID 54704497
4-chloro-2-ethyl-5-methoxypyridazin-3(2H)-one
CID 10655246
2-(2-chloro-2-methylpropyl)-4,5-dichloro-3(2H)-pyridazinone
CID 23039512
4,5-Dichloro-2-(2-methylpropyl)pyridazin-3-one
CID 43089702
4-Chloro-2-ethyl-5-hydroxypyridazin-3(2H)-one
CID 54680771
4-Chloro-5-hydroxy-2-propylpyridazin-3(2H)-one
CID 54707527

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-hydroxy-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-hydroxy-2-(2-methylpropyl)pyridazin-3-one (CID 67364897) is 4-chloro-5-hydroxy-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-hydroxy-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-hydroxy-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1ncc(O)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-hydroxy-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is HKHRRXALFFAIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-5(2)4-11-8(13)7(9)6(12)3-10-11/h3,5,12H,4H2,1-2H3.
What are the key properties of 4-chloro-5-hydroxy-2-(2-methylpropyl)pyridazin-3-one?
4-chloro-5-hydroxy-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 202.64 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-hydroxy-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 67364897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).