5,6-dichloro-N-iodopyridazin-4-amine

C4H2Cl2IN3 — CID 145185635

IUPAC5,6-dichloro-N-iodopyridazin-4-amine
SMILESClc1nncc(NI)c1Cl
InChIInChI=1S/C4H2Cl2IN3/c5-3-2(9-7)1-8-10-4(3)6/h1H,(H,9,10)
InChIKeyJUIJSXKANOVSHS-UHFFFAOYSA-N
MW289.89 g/mol
LogP2.55
Rot. Bonds1

About 5,6-dichloro-N-iodopyridazin-4-amine

5,6-dichloro-N-iodopyridazin-4-amine (PubChem CID 145185635) has the molecular formula C4H2Cl2IN3 and a molecular weight of 289.89 g/mol. Its IUPAC name is 5,6-dichloro-N-iodopyridazin-4-amine.

Molecular Properties

Compound Name5,6-dichloro-N-iodopyridazin-4-amine
PubChem CID145185635
Molecular FormulaC4H2Cl2IN3
Molecular Weight289.89 g/mol
Exact Mass288.87
IUPAC Name5,6-dichloro-N-iodopyridazin-4-amine
SMILESClc1nncc(NI)c1Cl
InChIInChI=1S/C4H2Cl2IN3/c5-3-2(9-7)1-8-10-4(3)6/h1H,(H,9,10)
InChIKeyJUIJSXKANOVSHS-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.89
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-iodopyridazin-4-amine?
The IUPAC name of 5,6-dichloro-N-iodopyridazin-4-amine (CID 145185635) is 5,6-dichloro-N-iodopyridazin-4-amine.
What is the SMILES notation for 5,6-dichloro-N-iodopyridazin-4-amine?
The canonical SMILES for 5,6-dichloro-N-iodopyridazin-4-amine is Clc1nncc(NI)c1Cl.
What is the InChIKey of 5,6-dichloro-N-iodopyridazin-4-amine?
The InChIKey is JUIJSXKANOVSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2IN3/c5-3-2(9-7)1-8-10-4(3)6/h1H,(H,9,10).
What are the key properties of 5,6-dichloro-N-iodopyridazin-4-amine?
5,6-dichloro-N-iodopyridazin-4-amine has a molecular weight of 289.89 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-iodopyridazin-4-amine is sourced from PubChem (CID 145185635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).