5-chloro-4-(4-fluoro-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one

C12H9ClFN3O — CID 146219175

IUPAC5-chloro-4-(4-fluoro-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2Cc3cccc(F)c3C2)c1Cl
InChIInChI=1S/C12H9ClFN3O/c13-11-10(4-15-16-12(11)18)17-5-7-2-1-3-9(14)8(7)6-17/h1-4H,5-6H2,(H,16,18)
InChIKeyJBKJJCDSLWHDCC-UHFFFAOYSA-N
MW265.68 g/mol
LogP2.08
Rot. Bonds1

About 5-chloro-4-(4-fluoro-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one

5-chloro-4-(4-fluoro-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one (PubChem CID 146219175) has the molecular formula C12H9ClFN3O and a molecular weight of 265.68 g/mol. Its IUPAC name is 5-chloro-4-(4-fluoro-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-(4-fluoro-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one
PubChem CID146219175
Molecular FormulaC12H9ClFN3O
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC Name5-chloro-4-(4-fluoro-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2Cc3cccc(F)c3C2)c1Cl
InChIInChI=1S/C12H9ClFN3O/c13-11-10(4-15-16-12(11)18)17-5-7-2-1-3-9(14)8(7)6-17/h1-4H,5-6H2,(H,16,18)
InChIKeyJBKJJCDSLWHDCC-UHFFFAOYSA-N
XLogP2.08
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-2-methyl-5-{[(2-methylphenyl)methyl]amino}-2,3-dihydropyridazin-3-one
CID 33323919
5-chloro-4-[4-oxo-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]-1H-pyridazin-6-one
CID 168296450
5-(Benzylamino)-4-chloropyridazin-3-ol
CID 687683
5-chloro-4-[2-(3-fluorophenyl)ethylamino]-1H-pyridazin-6-one
CID 45856900
5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 138471524
5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[1-[2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 138471528
5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 138471709
5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 138471710
5-chloro-4-[4-[(2-cyclopropyl-4-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138471942
5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 138471962
5-chloro-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138471978
5-chloro-4-[(2R)-2-ethyl-4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138472078

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-fluoro-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-(4-fluoro-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one (CID 146219175) is 5-chloro-4-(4-fluoro-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-(4-fluoro-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-(4-fluoro-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one is O=c1[nH]ncc(N2Cc3cccc(F)c3C2)c1Cl.
What is the InChIKey of 5-chloro-4-(4-fluoro-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one?
The InChIKey is JBKJJCDSLWHDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c13-11-10(4-15-16-12(11)18)17-5-7-2-1-3-9(14)8(7)6-17/h1-4H,5-6H2,(H,16,18).
What are the key properties of 5-chloro-4-(4-fluoro-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one?
5-chloro-4-(4-fluoro-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one has a molecular weight of 265.68 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-fluoro-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 146219175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).