4-(3-chloro-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

C16H11ClF3N3O — CID 58851939

IUPAC4-(3-chloro-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CC(c2ccncc2Cl)C(c2ccc(C(F)(F)F)cc2)=NN1
InChIInChI=1S/C16H11ClF3N3O/c17-13-8-21-6-5-11(13)12-7-14(24)22-23-15(12)9-1-3-10(4-2-9)16(18,19)20/h1-6,8,12H,7H2,(H,22,24)
InChIKeyQUUCKNLAVDWNJF-UHFFFAOYSA-N
MW353.73 g/mol
LogP3.76
Rot. Bonds2

About 4-(3-chloro-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

4-(3-chloro-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 58851939) has the molecular formula C16H11ClF3N3O and a molecular weight of 353.73 g/mol. Its IUPAC name is 4-(3-chloro-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(3-chloro-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID58851939
Molecular FormulaC16H11ClF3N3O
Molecular Weight353.73 g/mol
Exact Mass353.05
IUPAC Name4-(3-chloro-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CC(c2ccncc2Cl)C(c2ccc(C(F)(F)F)cc2)=NN1
InChIInChI=1S/C16H11ClF3N3O/c17-13-8-21-6-5-11(13)12-7-14(24)22-23-15(12)9-1-3-10(4-2-9)16(18,19)20/h1-6,8,12H,7H2,(H,22,24)
InChIKeyQUUCKNLAVDWNJF-UHFFFAOYSA-N
XLogP3.76
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.73
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 4-(3-chloro-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 58851939) is 4-(3-chloro-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 4-(3-chloro-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 4-(3-chloro-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one is O=C1CC(c2ccncc2Cl)C(c2ccc(C(F)(F)F)cc2)=NN1.
What is the InChIKey of 4-(3-chloro-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is QUUCKNLAVDWNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O/c17-13-8-21-6-5-11(13)12-7-14(24)22-23-15(12)9-1-3-10(4-2-9)16(18,19)20/h1-6,8,12H,7H2,(H,22,24).
What are the key properties of 4-(3-chloro-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
4-(3-chloro-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 353.73 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 58851939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).