6-iodo-N-methylpyridazine-3-carboxamide

C6H6IN3O — CID 170981048

IUPAC6-iodo-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(I)nn1
InChIInChI=1S/C6H6IN3O/c1-8-6(11)4-2-3-5(7)10-9-4/h2-3H,1H3,(H,8,11)
InChIKeyIZYAVZFUBWJXHZ-UHFFFAOYSA-N
MW263.04 g/mol
LogP0.44
Rot. Bonds1

About 6-iodo-N-methylpyridazine-3-carboxamide

6-iodo-N-methylpyridazine-3-carboxamide (PubChem CID 170981048) has the molecular formula C6H6IN3O and a molecular weight of 263.04 g/mol. Its IUPAC name is 6-iodo-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-iodo-N-methylpyridazine-3-carboxamide
PubChem CID170981048
Molecular FormulaC6H6IN3O
Molecular Weight263.04 g/mol
Exact Mass262.96
IUPAC Name6-iodo-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(I)nn1
InChIInChI=1S/C6H6IN3O/c1-8-6(11)4-2-3-5(7)10-9-4/h2-3H,1H3,(H,8,11)
InChIKeyIZYAVZFUBWJXHZ-UHFFFAOYSA-N
XLogP0.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.04
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-iodo-N-methylpyridazine-3-carboxamide (CID 170981048) is 6-iodo-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-iodo-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-iodo-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(I)nn1.
What is the InChIKey of 6-iodo-N-methylpyridazine-3-carboxamide?
The InChIKey is IZYAVZFUBWJXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6IN3O/c1-8-6(11)4-2-3-5(7)10-9-4/h2-3H,1H3,(H,8,11).
What are the key properties of 6-iodo-N-methylpyridazine-3-carboxamide?
6-iodo-N-methylpyridazine-3-carboxamide has a molecular weight of 263.04 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 170981048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).