N-(2,6-dimethyl-3-oxopyridazin-4-yl)-2-iodoacetamide

C8H10IN3O2 — CID 170582987

IUPACN-(2,6-dimethyl-3-oxopyridazin-4-yl)-2-iodoacetamide
SMILESCc1cc(NC(=O)CI)c(=O)n(C)n1
InChIInChI=1S/C8H10IN3O2/c1-5-3-6(10-7(13)4-9)8(14)12(2)11-5/h3H,4H2,1-2H3,(H,10,13)
InChIKeyUTVBYIHIQBYHKN-UHFFFAOYSA-N
MW307.09 g/mol
LogP0.46
Rot. Bonds2

About N-(2,6-dimethyl-3-oxopyridazin-4-yl)-2-iodoacetamide

N-(2,6-dimethyl-3-oxopyridazin-4-yl)-2-iodoacetamide (PubChem CID 170582987) has the molecular formula C8H10IN3O2 and a molecular weight of 307.09 g/mol. Its IUPAC name is N-(2,6-dimethyl-3-oxopyridazin-4-yl)-2-iodoacetamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-3-oxopyridazin-4-yl)-2-iodoacetamide
PubChem CID170582987
Molecular FormulaC8H10IN3O2
Molecular Weight307.09 g/mol
Exact Mass306.98
IUPAC NameN-(2,6-dimethyl-3-oxopyridazin-4-yl)-2-iodoacetamide
SMILESCc1cc(NC(=O)CI)c(=O)n(C)n1
InChIInChI=1S/C8H10IN3O2/c1-5-3-6(10-7(13)4-9)8(14)12(2)11-5/h3H,4H2,1-2H3,(H,10,13)
InChIKeyUTVBYIHIQBYHKN-UHFFFAOYSA-N
XLogP0.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.09
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-3-oxopyridazin-4-yl)-2-iodoacetamide?
The IUPAC name of N-(2,6-dimethyl-3-oxopyridazin-4-yl)-2-iodoacetamide (CID 170582987) is N-(2,6-dimethyl-3-oxopyridazin-4-yl)-2-iodoacetamide.
What is the SMILES notation for N-(2,6-dimethyl-3-oxopyridazin-4-yl)-2-iodoacetamide?
The canonical SMILES for N-(2,6-dimethyl-3-oxopyridazin-4-yl)-2-iodoacetamide is Cc1cc(NC(=O)CI)c(=O)n(C)n1.
What is the InChIKey of N-(2,6-dimethyl-3-oxopyridazin-4-yl)-2-iodoacetamide?
The InChIKey is UTVBYIHIQBYHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN3O2/c1-5-3-6(10-7(13)4-9)8(14)12(2)11-5/h3H,4H2,1-2H3,(H,10,13).
What are the key properties of N-(2,6-dimethyl-3-oxopyridazin-4-yl)-2-iodoacetamide?
N-(2,6-dimethyl-3-oxopyridazin-4-yl)-2-iodoacetamide has a molecular weight of 307.09 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-3-oxopyridazin-4-yl)-2-iodoacetamide is sourced from PubChem (CID 170582987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).