3-(4-chloro-3-fluorophenyl)-5-[1-(methylamino)ethenyl]-1H-pyridazin-6-one

C13H11ClFN3O — CID 145407253

IUPAC3-(4-chloro-3-fluorophenyl)-5-[1-(methylamino)ethenyl]-1H-pyridazin-6-one
SMILESC=C(NC)c1cc(-c2ccc(Cl)c(F)c2)n[nH]c1=O
InChIInChI=1S/C13H11ClFN3O/c1-7(16-2)9-6-12(17-18-13(9)19)8-3-4-10(14)11(15)5-8/h3-6,16H,1H2,2H3,(H,18,19)
InChIKeyVABQCNHJWBZZJB-UHFFFAOYSA-N
MW279.70 g/mol
LogP2.42
Rot. Bonds3

About 3-(4-chloro-3-fluorophenyl)-5-[1-(methylamino)ethenyl]-1H-pyridazin-6-one

3-(4-chloro-3-fluorophenyl)-5-[1-(methylamino)ethenyl]-1H-pyridazin-6-one (PubChem CID 145407253) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-5-[1-(methylamino)ethenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-5-[1-(methylamino)ethenyl]-1H-pyridazin-6-one
PubChem CID145407253
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC Name3-(4-chloro-3-fluorophenyl)-5-[1-(methylamino)ethenyl]-1H-pyridazin-6-one
SMILESC=C(NC)c1cc(-c2ccc(Cl)c(F)c2)n[nH]c1=O
InChIInChI=1S/C13H11ClFN3O/c1-7(16-2)9-6-12(17-18-13(9)19)8-3-4-10(14)11(15)5-8/h3-6,16H,1H2,2H3,(H,18,19)
InChIKeyVABQCNHJWBZZJB-UHFFFAOYSA-N
XLogP2.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[3-(diethylamino)propyl]propanamide
CID 5046060
N-butyl-3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]propanamide
CID 5046316
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(3-methylbutyl)propanamide
CID 5046308
N'-[(1Z)-1-(4-chlorophenyl)ethylidene]-2-(5-hydroxy-1H-pyrazol-3-yl)acetohydrazide
CID 5420957
N-(3-(3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl)propyl)propionamide
CID 42138718
6-(4-chloro-3-fluorophenyl)pyridazin-3(2H)-one
CID 19689346
5-[(3E,5Z)-6-amino-3-fluorohexa-1,3,5-trien-2-yl]-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one
CID 89250286
5-[(3E,5E)-6-amino-5-chloro-3-fluorohexa-1,3,5-trien-2-yl]-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one
CID 89250352
3-(4-chloro-2-fluorophenyl)-5-methyl-4-(trifluoromethyl)-1H-pyridazin-6-one
CID 90934699
3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridazin-6-one
CID 162738820
6-(4-Chlorophenyl)-2-(3-fluorocyclohepta-1,3,5-trien-1-yl)-3-oxopyridazine-4-carboxamide
CID 166729506
5-amino-3-(5-chloro-2-fluorophenyl)-1H-pyridazin-6-one
CID 169683789

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-5-[1-(methylamino)ethenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-5-[1-(methylamino)ethenyl]-1H-pyridazin-6-one (CID 145407253) is 3-(4-chloro-3-fluorophenyl)-5-[1-(methylamino)ethenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-5-[1-(methylamino)ethenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-5-[1-(methylamino)ethenyl]-1H-pyridazin-6-one is C=C(NC)c1cc(-c2ccc(Cl)c(F)c2)n[nH]c1=O.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-5-[1-(methylamino)ethenyl]-1H-pyridazin-6-one?
The InChIKey is VABQCNHJWBZZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c1-7(16-2)9-6-12(17-18-13(9)19)8-3-4-10(14)11(15)5-8/h3-6,16H,1H2,2H3,(H,18,19).
What are the key properties of 3-(4-chloro-3-fluorophenyl)-5-[1-(methylamino)ethenyl]-1H-pyridazin-6-one?
3-(4-chloro-3-fluorophenyl)-5-[1-(methylamino)ethenyl]-1H-pyridazin-6-one has a molecular weight of 279.70 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-5-[1-(methylamino)ethenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 145407253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).