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

C17H13Cl2N3O3 — CID 10068202

IUPAC[6-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCCC(c2ccc(Cl)c(Cl)c2)=N1
InChIInChI=1S/C17H13Cl2N3O3/c18-14-8-5-12(10-15(14)19)16-2-1-9-21(20-16)17(23)11-3-6-13(7-4-11)22(24)25/h3-8,10H,1-2,9H2
InChIKeyFGQBGBIHWBTRKP-UHFFFAOYSA-N
MW378.22 g/mol
LogP4.54
Rot. Bonds3

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

[6-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone (PubChem CID 10068202) has the molecular formula C17H13Cl2N3O3 and a molecular weight of 378.22 g/mol. Its IUPAC name is [6-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone.

Molecular Properties

Compound Name[6-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone
PubChem CID10068202
Molecular FormulaC17H13Cl2N3O3
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC Name[6-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCCC(c2ccc(Cl)c(Cl)c2)=N1
InChIInChI=1S/C17H13Cl2N3O3/c18-14-8-5-12(10-15(14)19)16-2-1-9-21(20-16)17(23)11-3-6-13(7-4-11)22(24)25/h3-8,10H,1-2,9H2
InChIKeyFGQBGBIHWBTRKP-UHFFFAOYSA-N
XLogP4.54
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 54.54
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-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone?
The IUPAC name of [6-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone (CID 10068202) is [6-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone.
What is the SMILES notation for [6-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone?
The canonical SMILES for [6-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone is O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC(c2ccc(Cl)c(Cl)c2)=N1.
What is the InChIKey of [6-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone?
The InChIKey is FGQBGBIHWBTRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O3/c18-14-8-5-12(10-15(14)19)16-2-1-9-21(20-16)17(23)11-3-6-13(7-4-11)22(24)25/h3-8,10H,1-2,9H2.
What are the key properties of [6-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone?
[6-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone has a molecular weight of 378.22 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-nitrophenyl)methanone is sourced from PubChem (CID 10068202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).