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

C11H8ClFN2O — CID 99844131

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one
SMILESO=c1cccnn1Cc1c(F)cccc1Cl
InChIInChI=1S/C11H8ClFN2O/c12-9-3-1-4-10(13)8(9)7-15-11(16)5-2-6-14-15/h1-6H,7H2
InChIKeySPLRNVKEYQRBAO-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.08
Rot. Bonds2

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

2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one (PubChem CID 99844131) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one
PubChem CID99844131
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one
SMILESO=c1cccnn1Cc1c(F)cccc1Cl
InChIInChI=1S/C11H8ClFN2O/c12-9-3-1-4-10(13)8(9)7-15-11(16)5-2-6-14-15/h1-6H,7H2
InChIKeySPLRNVKEYQRBAO-UHFFFAOYSA-N
XLogP2.08
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl]-6-(2-fluorophenyl)pyridazin-3-one
CID 51044457
3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazin-2-one
CID 114561600
1-[(2-chloro-6-fluorophenyl)methyl]pyrrole-2,5-dione
CID 82117290
2-[(2,6-dichlorophenyl)methylsulfonyl]pyridazin-3-one
CID 154453250
5-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 53331782
2-[(4-bromophenyl)methyl]pyridazin-3-one
CID 55209830
2-[(3,6-dichloro-2-pyridinyl)methyl]pyridazin-3-one
CID 62891549
2-[2-(2-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one
CID 107143258
6-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-3H-pyrazolo[3,4-d]triazin-4-one
CID 135422921
2-[(2-chloro-6-fluorophenyl)methyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one
CID 7671894
1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 61496120
3-[(2-chloro-6-fluorophenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one
CID 1444510

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one (CID 99844131) is 2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one is O=c1cccnn1Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one?
The InChIKey is SPLRNVKEYQRBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c12-9-3-1-4-10(13)8(9)7-15-11(16)5-2-6-14-15/h1-6H,7H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one?
2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one has a molecular weight of 238.65 g/mol, XLogP of 2.08, 2 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]pyridazin-3-one is sourced from PubChem (CID 99844131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).