(5S)-3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyridazin-6-one

C16H12ClFN2O — CID 1484016

IUPAC(5S)-3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1NN=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C16H12ClFN2O/c17-12-5-1-11(2-6-12)15-9-14(16(21)20-19-15)10-3-7-13(18)8-4-10/h1-8,14H,9H2,(H,20,21)/t14-/m0/s1
InChIKeyGOPYTKZMXDLQOA-AWEZNQCLSA-N
MW302.74 g/mol
LogP3.49
Rot. Bonds2

About (5S)-3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyridazin-6-one

(5S)-3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 1484016) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is (5S)-3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name(5S)-3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID1484016
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name(5S)-3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1NN=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C16H12ClFN2O/c17-12-5-1-11(2-6-12)15-9-14(16(21)20-19-15)10-3-7-13(18)8-4-10/h1-8,14H,9H2,(H,20,21)/t14-/m0/s1
InChIKeyGOPYTKZMXDLQOA-AWEZNQCLSA-N
XLogP3.49
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of (5S)-3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyridazin-6-one (CID 1484016) is (5S)-3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for (5S)-3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for (5S)-3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyridazin-6-one is O=C1NN=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(F)cc1.
What is the InChIKey of (5S)-3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is GOPYTKZMXDLQOA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c17-12-5-1-11(2-6-12)15-9-14(16(21)20-19-15)10-3-7-13(18)8-4-10/h1-8,14H,9H2,(H,20,21)/t14-/m0/s1.
What are the key properties of (5S)-3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyridazin-6-one?
(5S)-3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 302.74 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 1484016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).