[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone

C17H14ClN3O3 — CID 10831262

IUPAC[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCCC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C17H14ClN3O3/c18-14-7-3-12(4-8-14)16-2-1-11-20(19-16)17(22)13-5-9-15(10-6-13)21(23)24/h3-10H,1-2,11H2
InChIKeyBGXXLRSGNGWIOR-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.89
Rot. Bonds3

About [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone

[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone (PubChem CID 10831262) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone.

Molecular Properties

Compound Name[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone
PubChem CID10831262
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Name[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCCC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C17H14ClN3O3/c18-14-7-3-12(4-8-14)16-2-1-11-20(19-16)17(22)13-5-9-15(10-6-13)21(23)24/h3-10H,1-2,11H2
InChIKeyBGXXLRSGNGWIOR-UHFFFAOYSA-N
XLogP3.89
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone?
The IUPAC name of [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone (CID 10831262) is [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone.
What is the SMILES notation for [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone?
The canonical SMILES for [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone is O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC(c2ccc(Cl)cc2)=N1.
What is the InChIKey of [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone?
The InChIKey is BGXXLRSGNGWIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c18-14-7-3-12(4-8-14)16-2-1-11-20(19-16)17(22)13-5-9-15(10-6-13)21(23)24/h3-10H,1-2,11H2.
What are the key properties of [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone?
[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone has a molecular weight of 343.77 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone is sourced from PubChem (CID 10831262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).