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

C5H5ClN2O2 — CID 54695798

IUPAC4-chloro-5-hydroxy-2-methylpyridazin-3-one
SMILESCn1ncc(O)c(Cl)c1=O
InChIInChI=1S/C5H5ClN2O2/c1-8-5(10)4(6)3(9)2-7-8/h2,9H,1H3
InChIKeyHTMVVHFEGGKMFN-UHFFFAOYSA-N
MW160.56 g/mol
LogP0.14
Rot. Bonds

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

4-chloro-5-hydroxy-2-methylpyridazin-3-one (PubChem CID 54695798) has the molecular formula C5H5ClN2O2 and a molecular weight of 160.56 g/mol. Its IUPAC name is 4-chloro-5-hydroxy-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-hydroxy-2-methylpyridazin-3-one
PubChem CID54695798
Molecular FormulaC5H5ClN2O2
Molecular Weight160.56 g/mol
Exact Mass160.00
IUPAC Name4-chloro-5-hydroxy-2-methylpyridazin-3-one
SMILESCn1ncc(O)c(Cl)c1=O
InChIInChI=1S/C5H5ClN2O2/c1-8-5(10)4(6)3(9)2-7-8/h2,9H,1H3
InChIKeyHTMVVHFEGGKMFN-UHFFFAOYSA-N
XLogP0.14
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.56
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-hydroxy-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-hydroxy-2-methylpyridazin-3-one (CID 54695798) is 4-chloro-5-hydroxy-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-hydroxy-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-hydroxy-2-methylpyridazin-3-one is Cn1ncc(O)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-hydroxy-2-methylpyridazin-3-one?
The InChIKey is HTMVVHFEGGKMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O2/c1-8-5(10)4(6)3(9)2-7-8/h2,9H,1H3.
What are the key properties of 4-chloro-5-hydroxy-2-methylpyridazin-3-one?
4-chloro-5-hydroxy-2-methylpyridazin-3-one has a molecular weight of 160.56 g/mol, XLogP of 0.14, 0 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-methylpyridazin-3-one is sourced from PubChem (CID 54695798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).