2-iodo-6-methoxypyridin-3-amine;6-methylpyridin-3-amine;molecular iodine

C12H15I3N4O — CID 158657975

IUPAC2-iodo-6-methoxypyridin-3-amine;6-methylpyridin-3-amine;molecular iodine
SMILESCOc1ccc(N)c(I)n1.Cc1ccc(N)cn1.II
InChIInChI=1S/C6H7IN2O.C6H8N2.I2/c1-10-5-3-2-4(8)6(7)9-5;1-5-2-3-6(7)4-8-5;1-2/h2-3H,8H2,1H3;2-4H,7H2,1H3;
InChIKeyICJSJTSAYLXMHX-UHFFFAOYSA-N
MW611.99 g/mol
LogP4.02
Rot. Bonds1

About 2-iodo-6-methoxypyridin-3-amine;6-methylpyridin-3-amine;molecular iodine

2-iodo-6-methoxypyridin-3-amine;6-methylpyridin-3-amine;molecular iodine (PubChem CID 158657975) has the molecular formula C12H15I3N4O and a molecular weight of 611.99 g/mol. Its IUPAC name is 2-iodo-6-methoxypyridin-3-amine;6-methylpyridin-3-amine;molecular iodine.

Molecular Properties

Compound Name2-iodo-6-methoxypyridin-3-amine;6-methylpyridin-3-amine;molecular iodine
PubChem CID158657975
Molecular FormulaC12H15I3N4O
Molecular Weight611.99 g/mol
Exact Mass611.84
IUPAC Name2-iodo-6-methoxypyridin-3-amine;6-methylpyridin-3-amine;molecular iodine
SMILESCOc1ccc(N)c(I)n1.Cc1ccc(N)cn1.II
InChIInChI=1S/C6H7IN2O.C6H8N2.I2/c1-10-5-3-2-4(8)6(7)9-5;1-5-2-3-6(7)4-8-5;1-2/h2-3H,8H2,1H3;2-4H,7H2,1H3;
InChIKeyICJSJTSAYLXMHX-UHFFFAOYSA-N
XLogP4.02
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.99
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-6-methoxypyridin-3-amine;6-methylpyridin-3-amine;molecular iodine?
The IUPAC name of 2-iodo-6-methoxypyridin-3-amine;6-methylpyridin-3-amine;molecular iodine (CID 158657975) is 2-iodo-6-methoxypyridin-3-amine;6-methylpyridin-3-amine;molecular iodine.
What is the SMILES notation for 2-iodo-6-methoxypyridin-3-amine;6-methylpyridin-3-amine;molecular iodine?
The canonical SMILES for 2-iodo-6-methoxypyridin-3-amine;6-methylpyridin-3-amine;molecular iodine is COc1ccc(N)c(I)n1.Cc1ccc(N)cn1.II.
What is the InChIKey of 2-iodo-6-methoxypyridin-3-amine;6-methylpyridin-3-amine;molecular iodine?
The InChIKey is ICJSJTSAYLXMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2O.C6H8N2.I2/c1-10-5-3-2-4(8)6(7)9-5;1-5-2-3-6(7)4-8-5;1-2/h2-3H,8H2,1H3;2-4H,7H2,1H3;.
What are the key properties of 2-iodo-6-methoxypyridin-3-amine;6-methylpyridin-3-amine;molecular iodine?
2-iodo-6-methoxypyridin-3-amine;6-methylpyridin-3-amine;molecular iodine has a molecular weight of 611.99 g/mol, XLogP of 4.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-6-methoxypyridin-3-amine;6-methylpyridin-3-amine;molecular iodine is sourced from PubChem (CID 158657975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).