4-chloro-5-fluoro-3-phenyl-1H-pyridazin-6-one

C10H6ClFN2O — CID 88667827

IUPAC4-chloro-5-fluoro-3-phenyl-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccccc2)c(Cl)c1F
InChIInChI=1S/C10H6ClFN2O/c11-7-8(12)10(15)14-13-9(7)6-4-2-1-3-5-6/h1-5H,(H,14,15)
InChIKeyGFKPKLGGLZXGLB-UHFFFAOYSA-N
MW224.62 g/mol
LogP2.23
Rot. Bonds1

About 4-chloro-5-fluoro-3-phenyl-1H-pyridazin-6-one

4-chloro-5-fluoro-3-phenyl-1H-pyridazin-6-one (PubChem CID 88667827) has the molecular formula C10H6ClFN2O and a molecular weight of 224.62 g/mol. Its IUPAC name is 4-chloro-5-fluoro-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-chloro-5-fluoro-3-phenyl-1H-pyridazin-6-one
PubChem CID88667827
Molecular FormulaC10H6ClFN2O
Molecular Weight224.62 g/mol
Exact Mass224.02
IUPAC Name4-chloro-5-fluoro-3-phenyl-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccccc2)c(Cl)c1F
InChIInChI=1S/C10H6ClFN2O/c11-7-8(12)10(15)14-13-9(7)6-4-2-1-3-5-6/h1-5H,(H,14,15)
InChIKeyGFKPKLGGLZXGLB-UHFFFAOYSA-N
XLogP2.23
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.62
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-2H-phthalazin-1-one;hydrate
CID 51057017
6-chloro-4-phenyl-2H-phthalazin-1-one
CID 134109277
5-methyl-3,4-diphenyl-1H-pyridazin-6-one
CID 13078220
(4-chloro-3-phenyl-1H-pyrazol-5-yl)methanethiol
CID 139479531
CID 170844507
CID 170844507
5-diazonio-6-oxo-3-phenyl-1H-pyridazin-4-olate
CID 110272737
6-phenyl-4,5-diazapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),5,9,11,13,15,17,19-octaen-3-one
CID 24751534
4-amino-5-nitroso-3-phenyl-1H-pyridazin-6-one
CID 10443288
4-chloro-6-oxo-5-phenyl-1H-pyridazine-3-carboxylic acid
CID 91462779
4-chloro-3-(4-fluorophenyl)-1H-pyrazole-5-carbaldehyde
CID 83911072
4-phenyl-2,6,7,8-tetrahydrocyclopenta[g]phthalazin-1-one
CID 15190690
4-(3,5-dichlorophenyl)-2H-phthalazin-1-one
CID 2824608

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 4-chloro-5-fluoro-3-phenyl-1H-pyridazin-6-one (CID 88667827) is 4-chloro-5-fluoro-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-chloro-5-fluoro-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 4-chloro-5-fluoro-3-phenyl-1H-pyridazin-6-one is O=c1[nH]nc(-c2ccccc2)c(Cl)c1F.
What is the InChIKey of 4-chloro-5-fluoro-3-phenyl-1H-pyridazin-6-one?
The InChIKey is GFKPKLGGLZXGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O/c11-7-8(12)10(15)14-13-9(7)6-4-2-1-3-5-6/h1-5H,(H,14,15).
What are the key properties of 4-chloro-5-fluoro-3-phenyl-1H-pyridazin-6-one?
4-chloro-5-fluoro-3-phenyl-1H-pyridazin-6-one has a molecular weight of 224.62 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 88667827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).