3-(5-chloro-2-methoxyphenyl)-5-(2-hydroxypropan-2-yl)-1H-pyridazin-6-one

C14H15ClN2O3 — CID 82446409

IUPAC3-(5-chloro-2-methoxyphenyl)-5-(2-hydroxypropan-2-yl)-1H-pyridazin-6-one
SMILESCOc1ccc(Cl)cc1-c1cc(C(C)(C)O)c(=O)[nH]n1
InChIInChI=1S/C14H15ClN2O3/c1-14(2,19)10-7-11(16-17-13(10)18)9-6-8(15)4-5-12(9)20-3/h4-7,19H,1-3H3,(H,17,18)
InChIKeyHRUIMRWPRYRIQF-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.33
Rot. Bonds3

About 3-(5-chloro-2-methoxyphenyl)-5-(2-hydroxypropan-2-yl)-1H-pyridazin-6-one

3-(5-chloro-2-methoxyphenyl)-5-(2-hydroxypropan-2-yl)-1H-pyridazin-6-one (PubChem CID 82446409) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-5-(2-hydroxypropan-2-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-5-(2-hydroxypropan-2-yl)-1H-pyridazin-6-one
PubChem CID82446409
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name3-(5-chloro-2-methoxyphenyl)-5-(2-hydroxypropan-2-yl)-1H-pyridazin-6-one
SMILESCOc1ccc(Cl)cc1-c1cc(C(C)(C)O)c(=O)[nH]n1
InChIInChI=1S/C14H15ClN2O3/c1-14(2,19)10-7-11(16-17-13(10)18)9-6-8(15)4-5-12(9)20-3/h4-7,19H,1-3H3,(H,17,18)
InChIKeyHRUIMRWPRYRIQF-UHFFFAOYSA-N
XLogP2.33
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one
CID 106514741
3-(5-chloro-2-methoxyphenyl)-5-(sulfanylmethyl)-1H-pyridazin-6-one
CID 82446407
2-[6-(5-chloro-2-methoxyphenyl)-2-methyl-3-pyridinyl]propan-2-ol
CID 82453379
3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3313057
5-(2-aminopropan-2-yl)-3-(2-methoxyphenyl)-1H-pyridazin-6-one
CID 82445812
3-amino-6-(5-chloro-2-methoxyphenyl)-1H-pyridin-2-one
CID 82467202
3-(2-methoxy-5-methylphenyl)-6-oxo-1H-pyridazine-5-carbonyl chloride
CID 82446389
4-(5-chloro-2-methoxyphenyl)-3H-1,3-thiazol-2-one
CID 82084785
5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one
CID 82445739
5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1H-pyridazin-6-one
CID 82446377
5-(chloromethyl)-3-(5-fluoro-2-methoxyphenyl)-1H-pyridazin-6-one
CID 83583893
3-(5-chloro-2-methoxyphenyl)-1H-indazole-5-carboxylic acid
CID 39219209

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-5-(2-hydroxypropan-2-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-5-(2-hydroxypropan-2-yl)-1H-pyridazin-6-one (CID 82446409) is 3-(5-chloro-2-methoxyphenyl)-5-(2-hydroxypropan-2-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-5-(2-hydroxypropan-2-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-5-(2-hydroxypropan-2-yl)-1H-pyridazin-6-one is COc1ccc(Cl)cc1-c1cc(C(C)(C)O)c(=O)[nH]n1.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-5-(2-hydroxypropan-2-yl)-1H-pyridazin-6-one?
The InChIKey is HRUIMRWPRYRIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-14(2,19)10-7-11(16-17-13(10)18)9-6-8(15)4-5-12(9)20-3/h4-7,19H,1-3H3,(H,17,18).
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-5-(2-hydroxypropan-2-yl)-1H-pyridazin-6-one?
3-(5-chloro-2-methoxyphenyl)-5-(2-hydroxypropan-2-yl)-1H-pyridazin-6-one has a molecular weight of 294.74 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-5-(2-hydroxypropan-2-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 82446409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).