2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(2-fluorophenyl)pyridazin-3-one

C18H14ClFN2O2 — CID 111476768

IUPAC2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(2-fluorophenyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccccc2F)nn1CC(O)c1cccc(Cl)c1
InChIInChI=1S/C18H14ClFN2O2/c19-13-5-3-4-12(10-13)17(23)11-22-18(24)9-8-16(21-22)14-6-1-2-7-15(14)20/h1-10,17,23H,11H2
InChIKeyFMVDKAOVWGEUEL-UHFFFAOYSA-N
MW344.77 g/mol
LogP3.44
Rot. Bonds4

About 2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(2-fluorophenyl)pyridazin-3-one

2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(2-fluorophenyl)pyridazin-3-one (PubChem CID 111476768) has the molecular formula C18H14ClFN2O2 and a molecular weight of 344.77 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(2-fluorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(2-fluorophenyl)pyridazin-3-one
PubChem CID111476768
Molecular FormulaC18H14ClFN2O2
Molecular Weight344.77 g/mol
Exact Mass344.07
IUPAC Name2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(2-fluorophenyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccccc2F)nn1CC(O)c1cccc(Cl)c1
InChIInChI=1S/C18H14ClFN2O2/c19-13-5-3-4-12(10-13)17(23)11-22-18(24)9-8-16(21-22)14-6-1-2-7-15(14)20/h1-10,17,23H,11H2
InChIKeyFMVDKAOVWGEUEL-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.77
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-fluorophenyl)-2-(2-hydroxy-2-phenylethyl)pyridazin-3-one
CID 110928593
2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 111476721
6-(4-fluorophenyl)-2-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one
CID 94813590
2-[(2-chloro-6-fluorophenyl)methyl]-6-(2-fluorophenyl)pyridazin-3-one
CID 51044457
N-(3-chloro-4-fluorophenyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 51043652
2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 3224521
2-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one
CID 110905256
(2S)-2-[[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-phenylpropanoic acid
CID 51053788
2-[(4-chlorophenyl)methyl]-6-naphthalen-1-ylpyridazin-3-one
CID 16831265
N-butan-2-yl-1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide
CID 42754822
3-(3-chlorophenyl)-3-hydroxypropanoate
CID 19770450
6-(2-fluorophenyl)-2-(1,2-oxazol-3-ylmethyl)pyridazin-3-one
CID 139001695

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(2-fluorophenyl)pyridazin-3-one?
The IUPAC name of 2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(2-fluorophenyl)pyridazin-3-one (CID 111476768) is 2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(2-fluorophenyl)pyridazin-3-one.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(2-fluorophenyl)pyridazin-3-one?
The canonical SMILES for 2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(2-fluorophenyl)pyridazin-3-one is O=c1ccc(-c2ccccc2F)nn1CC(O)c1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(2-fluorophenyl)pyridazin-3-one?
The InChIKey is FMVDKAOVWGEUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2/c19-13-5-3-4-12(10-13)17(23)11-22-18(24)9-8-16(21-22)14-6-1-2-7-15(14)20/h1-10,17,23H,11H2.
What are the key properties of 2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(2-fluorophenyl)pyridazin-3-one?
2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(2-fluorophenyl)pyridazin-3-one has a molecular weight of 344.77 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(2-fluorophenyl)pyridazin-3-one is sourced from PubChem (CID 111476768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).