2-[(2-chloro-6-fluorophenyl)methyl]-6-(2-fluorophenyl)pyridazin-3-one

C17H11ClF2N2O — CID 51044457

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-6-(2-fluorophenyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccccc2F)nn1Cc1c(F)cccc1Cl
InChIInChI=1S/C17H11ClF2N2O/c18-13-5-3-7-15(20)12(13)10-22-17(23)9-8-16(21-22)11-4-1-2-6-14(11)19/h1-9H,10H2
InChIKeyKFXBXUWKPOQEOM-UHFFFAOYSA-N
MW332.74 g/mol
LogP3.89
Rot. Bonds3

About 2-[(2-chloro-6-fluorophenyl)methyl]-6-(2-fluorophenyl)pyridazin-3-one

2-[(2-chloro-6-fluorophenyl)methyl]-6-(2-fluorophenyl)pyridazin-3-one (PubChem CID 51044457) has the molecular formula C17H11ClF2N2O and a molecular weight of 332.74 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-6-(2-fluorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-6-(2-fluorophenyl)pyridazin-3-one
PubChem CID51044457
Molecular FormulaC17H11ClF2N2O
Molecular Weight332.74 g/mol
Exact Mass332.05
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-6-(2-fluorophenyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccccc2F)nn1Cc1c(F)cccc1Cl
InChIInChI=1S/C17H11ClF2N2O/c18-13-5-3-7-15(20)12(13)10-22-17(23)9-8-16(21-22)11-4-1-2-6-14(11)19/h1-9H,10H2
InChIKeyKFXBXUWKPOQEOM-UHFFFAOYSA-N
XLogP3.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.74
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one
CID 7671894
2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one
CID 99844131
6-(2-fluorophenyl)-2-(1,2-oxazol-3-ylmethyl)pyridazin-3-one
CID 139001695
2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(2-fluorophenyl)pyridazin-3-one
CID 111476768
6-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]pyridazin-3-one
CID 171340334
2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 3224521
6-(2-fluorophenyl)-2-(2-hydroxy-2-phenylethyl)pyridazin-3-one
CID 110928593
2-[(4-chlorophenyl)methyl]-6-naphthalen-1-ylpyridazin-3-one
CID 16831265
2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]isoindole-1,3-dione
CID 67281501
N-(3-chloro-4-fluorophenyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 51043652
1-[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]piperidine-4-carboxylic acid
CID 51054227
1-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)benzimidazole
CID 19243364

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-6-(2-fluorophenyl)pyridazin-3-one?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-6-(2-fluorophenyl)pyridazin-3-one (CID 51044457) is 2-[(2-chloro-6-fluorophenyl)methyl]-6-(2-fluorophenyl)pyridazin-3-one.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-6-(2-fluorophenyl)pyridazin-3-one?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-6-(2-fluorophenyl)pyridazin-3-one is O=c1ccc(-c2ccccc2F)nn1Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-6-(2-fluorophenyl)pyridazin-3-one?
The InChIKey is KFXBXUWKPOQEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N2O/c18-13-5-3-7-15(20)12(13)10-22-17(23)9-8-16(21-22)11-4-1-2-6-14(11)19/h1-9H,10H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-6-(2-fluorophenyl)pyridazin-3-one?
2-[(2-chloro-6-fluorophenyl)methyl]-6-(2-fluorophenyl)pyridazin-3-one has a molecular weight of 332.74 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-6-(2-fluorophenyl)pyridazin-3-one is sourced from PubChem (CID 51044457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).