3-(3-chloro-5-fluoro-4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one

C11H10ClFN2O — CID 54155434

IUPAC3-(3-chloro-5-fluoro-4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1c(F)cc(C2=NNC(=O)CC2)cc1Cl
InChIInChI=1S/C11H10ClFN2O/c1-6-8(12)4-7(5-9(6)13)10-2-3-11(16)15-14-10/h4-5H,2-3H2,1H3,(H,15,16)
InChIKeyOKSISGLNFFMDRL-UHFFFAOYSA-N
MW240.66 g/mol
LogP2.40
Rot. Bonds1

About 3-(3-chloro-5-fluoro-4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one

3-(3-chloro-5-fluoro-4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 54155434) has the molecular formula C11H10ClFN2O and a molecular weight of 240.66 g/mol. Its IUPAC name is 3-(3-chloro-5-fluoro-4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-chloro-5-fluoro-4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID54155434
Molecular FormulaC11H10ClFN2O
Molecular Weight240.66 g/mol
Exact Mass240.05
IUPAC Name3-(3-chloro-5-fluoro-4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1c(F)cc(C2=NNC(=O)CC2)cc1Cl
InChIInChI=1S/C11H10ClFN2O/c1-6-8(12)4-7(5-9(6)13)10-2-3-11(16)15-14-10/h4-5H,2-3H2,1H3,(H,15,16)
InChIKeyOKSISGLNFFMDRL-UHFFFAOYSA-N
XLogP2.40
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-fluoro-4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(3-chloro-5-fluoro-4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one (CID 54155434) is 3-(3-chloro-5-fluoro-4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-chloro-5-fluoro-4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-chloro-5-fluoro-4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one is Cc1c(F)cc(C2=NNC(=O)CC2)cc1Cl.
What is the InChIKey of 3-(3-chloro-5-fluoro-4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is OKSISGLNFFMDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-6-8(12)4-7(5-9(6)13)10-2-3-11(16)15-14-10/h4-5H,2-3H2,1H3,(H,15,16).
What are the key properties of 3-(3-chloro-5-fluoro-4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(3-chloro-5-fluoro-4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 240.66 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-fluoro-4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 54155434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).