2-(2-chloroprop-2-enyl)-6-(3-nitrophenyl)pyridazin-3-one

C13H10ClN3O3 — CID 71864720

IUPAC2-(2-chloroprop-2-enyl)-6-(3-nitrophenyl)pyridazin-3-one
SMILESC=C(Cl)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O
InChIInChI=1S/C13H10ClN3O3/c1-9(14)8-16-13(18)6-5-12(15-16)10-3-2-4-11(7-10)17(19)20/h2-7H,1,8H2
InChIKeyFUDCINWJTIXYLJ-UHFFFAOYSA-N
MW291.69 g/mol
LogP2.57
Rot. Bonds4

About 2-(2-chloroprop-2-enyl)-6-(3-nitrophenyl)pyridazin-3-one

2-(2-chloroprop-2-enyl)-6-(3-nitrophenyl)pyridazin-3-one (PubChem CID 71864720) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 2-(2-chloroprop-2-enyl)-6-(3-nitrophenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-chloroprop-2-enyl)-6-(3-nitrophenyl)pyridazin-3-one
PubChem CID71864720
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name2-(2-chloroprop-2-enyl)-6-(3-nitrophenyl)pyridazin-3-one
SMILESC=C(Cl)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O
InChIInChI=1S/C13H10ClN3O3/c1-9(14)8-16-13(18)6-5-12(15-16)10-3-2-4-11(7-10)17(19)20/h2-7H,1,8H2
InChIKeyFUDCINWJTIXYLJ-UHFFFAOYSA-N
XLogP2.57
TPSA78.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

N-(3,5-dichlorophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
CID 41376567
N-(3-acetamidophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665621
2-[2-(diethylamino)ethyl]-6-(3-nitrophenyl)pyridazin-3-one
CID 7665774
2-ethyl-6-(3-nitrophenyl)-3-oxopyridazine-4-carbonyl chloride
CID 82445285
2-[(2R)-2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-6-(3-nitrophenyl)pyridazin-3-one
CID 94744429
N-(2,4-dimethylphenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665589
N-(2,5-dimethylphenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665571
2-[(3-nitrophenyl)methyl]-6-phenylpyridazin-3-one
CID 7659667
N-(1,3-benzodioxol-5-yl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665617
6-(3-nitrophenyl)-2-(quinolin-8-ylmethyl)pyridazin-3-one
CID 48925101
6-(4-bromophenyl)-2-[(3-nitrophenyl)methyl]pyridazin-3-one
CID 7663565
2-[3-(3-methylphenyl)-6-oxopyridazin-1-yl]acetic acid
CID 56770636

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroprop-2-enyl)-6-(3-nitrophenyl)pyridazin-3-one?
The IUPAC name of 2-(2-chloroprop-2-enyl)-6-(3-nitrophenyl)pyridazin-3-one (CID 71864720) is 2-(2-chloroprop-2-enyl)-6-(3-nitrophenyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-chloroprop-2-enyl)-6-(3-nitrophenyl)pyridazin-3-one?
The canonical SMILES for 2-(2-chloroprop-2-enyl)-6-(3-nitrophenyl)pyridazin-3-one is C=C(Cl)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O.
What is the InChIKey of 2-(2-chloroprop-2-enyl)-6-(3-nitrophenyl)pyridazin-3-one?
The InChIKey is FUDCINWJTIXYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c1-9(14)8-16-13(18)6-5-12(15-16)10-3-2-4-11(7-10)17(19)20/h2-7H,1,8H2.
What are the key properties of 2-(2-chloroprop-2-enyl)-6-(3-nitrophenyl)pyridazin-3-one?
2-(2-chloroprop-2-enyl)-6-(3-nitrophenyl)pyridazin-3-one has a molecular weight of 291.69 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroprop-2-enyl)-6-(3-nitrophenyl)pyridazin-3-one is sourced from PubChem (CID 71864720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).