3-(2,4-dichloro-5-hydroxyphenyl)-1,6-dimethylpyridazin-4-one

C12H10Cl2N2O2 — CID 167678767

IUPAC3-(2,4-dichloro-5-hydroxyphenyl)-1,6-dimethylpyridazin-4-one
SMILESCc1cc(=O)c(-c2cc(O)c(Cl)cc2Cl)nn1C
InChIInChI=1S/C12H10Cl2N2O2/c1-6-3-11(18)12(15-16(6)2)7-4-10(17)9(14)5-8(7)13/h3-5,17H,1-2H3
InChIKeyVFEKWILDHRSSPN-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.77
Rot. Bonds1

About 3-(2,4-dichloro-5-hydroxyphenyl)-1,6-dimethylpyridazin-4-one

3-(2,4-dichloro-5-hydroxyphenyl)-1,6-dimethylpyridazin-4-one (PubChem CID 167678767) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 3-(2,4-dichloro-5-hydroxyphenyl)-1,6-dimethylpyridazin-4-one.

Molecular Properties

Compound Name3-(2,4-dichloro-5-hydroxyphenyl)-1,6-dimethylpyridazin-4-one
PubChem CID167678767
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name3-(2,4-dichloro-5-hydroxyphenyl)-1,6-dimethylpyridazin-4-one
SMILESCc1cc(=O)c(-c2cc(O)c(Cl)cc2Cl)nn1C
InChIInChI=1S/C12H10Cl2N2O2/c1-6-3-11(18)12(15-16(6)2)7-4-10(17)9(14)5-8(7)13/h3-5,17H,1-2H3
InChIKeyVFEKWILDHRSSPN-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]benzenesulfonyl chloride
CID 145267104
methyl N-[2,4-dichloro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]phenyl]carbamate
CID 145266920
3-[2,4-dichloro-5-(2-methylprop-2-enylsulfanyl)phenyl]-1-methyl-6-(trifluoromethyl)pyridazin-4-one
CID 145267128
methyl 2-[2,4-dichloro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]phenyl]sulfanylacetate
CID 145266848
3-[2,4-dichloro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-1-methyl-6-(trifluoromethyl)pyridazin-4-one
CID 145266956
3-(2-chloro-4,5-dimethylphenyl)-1,4-dimethyl-5-methylsulfonylpyrazole
CID 54072209
3-[2,4-dichloro-5-(4-methylcyclohexyl)sulfanylphenyl]-1-methyl-6-(trifluoromethyl)pyridazin-4-one
CID 145266808
4-(1,5-dimethylpyrazol-3-yl)-2,5-dimethylphenol
CID 137003737
3-(2-chloro-4,5-dimethylphenyl)-1,4-dimethylpyrazole-5-carbothioamide
CID 20718511
2-chloro-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]benzoyl chloride
CID 145267038
2-chloro-4-fluoro-5-[1-methyl-4-oxo-6-(trifluoromethyl)pyridazin-3-yl]benzoic acid
CID 145267044
5-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,4-dichloro-N-ethylbenzamide
CID 59887678

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloro-5-hydroxyphenyl)-1,6-dimethylpyridazin-4-one?
The IUPAC name of 3-(2,4-dichloro-5-hydroxyphenyl)-1,6-dimethylpyridazin-4-one (CID 167678767) is 3-(2,4-dichloro-5-hydroxyphenyl)-1,6-dimethylpyridazin-4-one.
What is the SMILES notation for 3-(2,4-dichloro-5-hydroxyphenyl)-1,6-dimethylpyridazin-4-one?
The canonical SMILES for 3-(2,4-dichloro-5-hydroxyphenyl)-1,6-dimethylpyridazin-4-one is Cc1cc(=O)c(-c2cc(O)c(Cl)cc2Cl)nn1C.
What is the InChIKey of 3-(2,4-dichloro-5-hydroxyphenyl)-1,6-dimethylpyridazin-4-one?
The InChIKey is VFEKWILDHRSSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-6-3-11(18)12(15-16(6)2)7-4-10(17)9(14)5-8(7)13/h3-5,17H,1-2H3.
What are the key properties of 3-(2,4-dichloro-5-hydroxyphenyl)-1,6-dimethylpyridazin-4-one?
3-(2,4-dichloro-5-hydroxyphenyl)-1,6-dimethylpyridazin-4-one has a molecular weight of 285.13 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichloro-5-hydroxyphenyl)-1,6-dimethylpyridazin-4-one is sourced from PubChem (CID 167678767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).