5-chloro-3-(4-hydroxyphenyl)-1H-pyridazin-6-one

C10H7ClN2O2 — CID 136965927

IUPAC5-chloro-3-(4-hydroxyphenyl)-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccc(O)cc2)cc1Cl
InChIInChI=1S/C10H7ClN2O2/c11-8-5-9(12-13-10(8)15)6-1-3-7(14)4-2-6/h1-5,14H,(H,13,15)
InChIKeyBAALNJKADGYZBM-UHFFFAOYSA-N
MW222.63 g/mol
LogP1.80
Rot. Bonds1

About 5-chloro-3-(4-hydroxyphenyl)-1H-pyridazin-6-one

5-chloro-3-(4-hydroxyphenyl)-1H-pyridazin-6-one (PubChem CID 136965927) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 5-chloro-3-(4-hydroxyphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-3-(4-hydroxyphenyl)-1H-pyridazin-6-one
PubChem CID136965927
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name5-chloro-3-(4-hydroxyphenyl)-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccc(O)cc2)cc1Cl
InChIInChI=1S/C10H7ClN2O2/c11-8-5-9(12-13-10(8)15)6-1-3-7(14)4-2-6/h1-5,14H,(H,13,15)
InChIKeyBAALNJKADGYZBM-UHFFFAOYSA-N
XLogP1.80
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445716
3-(3-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 136660992
5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one
CID 82445739
4-(6-amino-5-chloropyridazin-3-yl)phenol
CID 136965926
4-[2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]ethenyl]phenol
CID 136626504
methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 142411116
4-(3,4-dichlorophenyl)phenol
CID 6452909
5-acetyl-3-(4-methylphenyl)-1H-pyridazin-6-one
CID 82445462
5-(hydroxymethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one
CID 82445428
4-[5-[1-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol
CID 136758050
3-(4-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135957065
5-acetyl-3-(4-fluorophenyl)-1H-pyridazin-6-one
CID 82445707

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-hydroxyphenyl)-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-3-(4-hydroxyphenyl)-1H-pyridazin-6-one (CID 136965927) is 5-chloro-3-(4-hydroxyphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-3-(4-hydroxyphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-3-(4-hydroxyphenyl)-1H-pyridazin-6-one is O=c1[nH]nc(-c2ccc(O)cc2)cc1Cl.
What is the InChIKey of 5-chloro-3-(4-hydroxyphenyl)-1H-pyridazin-6-one?
The InChIKey is BAALNJKADGYZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-8-5-9(12-13-10(8)15)6-1-3-7(14)4-2-6/h1-5,14H,(H,13,15).
What are the key properties of 5-chloro-3-(4-hydroxyphenyl)-1H-pyridazin-6-one?
5-chloro-3-(4-hydroxyphenyl)-1H-pyridazin-6-one has a molecular weight of 222.63 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-hydroxyphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 136965927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).