4-N-iodo-2-methoxypyridine-3,4-diamine

C6H8IN3O — CID 134516674

IUPAC4-N-iodo-2-methoxypyridine-3,4-diamine
SMILESCOc1nccc(NI)c1N
InChIInChI=1S/C6H8IN3O/c1-11-6-5(8)4(10-7)2-3-9-6/h2-3H,8H2,1H3,(H,9,10)
InChIKeySMQBKNNQDLYIHK-UHFFFAOYSA-N
MW265.05 g/mol
LogP1.43
Rot. Bonds2

About 4-N-iodo-2-methoxypyridine-3,4-diamine

4-N-iodo-2-methoxypyridine-3,4-diamine (PubChem CID 134516674) has the molecular formula C6H8IN3O and a molecular weight of 265.05 g/mol. Its IUPAC name is 4-N-iodo-2-methoxypyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-iodo-2-methoxypyridine-3,4-diamine
PubChem CID134516674
Molecular FormulaC6H8IN3O
Molecular Weight265.05 g/mol
Exact Mass264.97
IUPAC Name4-N-iodo-2-methoxypyridine-3,4-diamine
SMILESCOc1nccc(NI)c1N
InChIInChI=1S/C6H8IN3O/c1-11-6-5(8)4(10-7)2-3-9-6/h2-3H,8H2,1H3,(H,9,10)
InChIKeySMQBKNNQDLYIHK-UHFFFAOYSA-N
XLogP1.43
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.05
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-N-iodo-2-methoxypyridine-3,4-diamine?
The IUPAC name of 4-N-iodo-2-methoxypyridine-3,4-diamine (CID 134516674) is 4-N-iodo-2-methoxypyridine-3,4-diamine.
What is the SMILES notation for 4-N-iodo-2-methoxypyridine-3,4-diamine?
The canonical SMILES for 4-N-iodo-2-methoxypyridine-3,4-diamine is COc1nccc(NI)c1N.
What is the InChIKey of 4-N-iodo-2-methoxypyridine-3,4-diamine?
The InChIKey is SMQBKNNQDLYIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8IN3O/c1-11-6-5(8)4(10-7)2-3-9-6/h2-3H,8H2,1H3,(H,9,10).
What are the key properties of 4-N-iodo-2-methoxypyridine-3,4-diamine?
4-N-iodo-2-methoxypyridine-3,4-diamine has a molecular weight of 265.05 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-iodo-2-methoxypyridine-3,4-diamine is sourced from PubChem (CID 134516674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).