3-[(4-chlorophenyl)methyl]-1H-pyridazin-6-one

C11H9ClN2O — CID 1482949

IUPAC3-[(4-chlorophenyl)methyl]-1H-pyridazin-6-one
SMILESO=c1ccc(Cc2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C11H9ClN2O/c12-9-3-1-8(2-4-9)7-10-5-6-11(15)14-13-10/h1-6H,7H2,(H,14,15)
InChIKeyTYIDKINXJTXPNQ-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.01
Rot. Bonds2

About 3-[(4-chlorophenyl)methyl]-1H-pyridazin-6-one

3-[(4-chlorophenyl)methyl]-1H-pyridazin-6-one (PubChem CID 1482949) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1H-pyridazin-6-one
PubChem CID1482949
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name3-[(4-chlorophenyl)methyl]-1H-pyridazin-6-one
SMILESO=c1ccc(Cc2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C11H9ClN2O/c12-9-3-1-8(2-4-9)7-10-5-6-11(15)14-13-10/h1-6H,7H2,(H,14,15)
InChIKeyTYIDKINXJTXPNQ-UHFFFAOYSA-N
XLogP2.01
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-Chlorophenyl)-4,5-Dihydropyridazin-3(2H)-One
CID 120990
Diclomezine
CID 93341
3-Phenyl-6-pyridazone
CID 75106
6-(4-Chlorophenyl)-2,3-dihydropyridazin-3-one
CID 689085
3N-004
CID 5465093
2-(2,4-Dichlorophenyl)-2-(6-hydroxy-3-pyridazinyl)acetonitrile
CID 4358479
5-Chloro-6-phenylpyridazin-3-ol
CID 2735803
N'-(2-Chlorobenzylidene)-6-oxo-1,6-dihydropyridazine-3-carbohydrazide
CID 6882506
N'-[1-(4-chlorophenyl)ethylidene]hexanohydrazide
CID 5720765
N'-[1-(4-chlorophenyl)ethylidene]cyclopropanecarbohydrazide
CID 9605883
(R)-6-(4-chlorophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one
CID 6541041
3(2H)-Pyridazinone, 6-methyl-5-phenyl-
CID 3047628

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1H-pyridazin-6-one (CID 1482949) is 3-[(4-chlorophenyl)methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1H-pyridazin-6-one is O=c1ccc(Cc2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1H-pyridazin-6-one?
The InChIKey is TYIDKINXJTXPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-9-3-1-8(2-4-9)7-10-5-6-11(15)14-13-10/h1-6H,7H2,(H,14,15).
What are the key properties of 3-[(4-chlorophenyl)methyl]-1H-pyridazin-6-one?
3-[(4-chlorophenyl)methyl]-1H-pyridazin-6-one has a molecular weight of 220.66 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 1482949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).