5-iodo-[1,2]oxazolo[5,4-b]pyridin-3-amine

C6H4IN3O — CID 118867655

IUPAC5-iodo-[1,2]oxazolo[5,4-b]pyridin-3-amine
SMILESNc1noc2ncc(I)cc12
InChIInChI=1S/C6H4IN3O/c7-3-1-4-5(8)10-11-6(4)9-2-3/h1-2H,(H2,8,10)
InChIKeyIINPFXZWINSOPA-UHFFFAOYSA-N
MW261.02 g/mol
LogP1.41
Rot. Bonds

About 5-iodo-[1,2]oxazolo[5,4-b]pyridin-3-amine

5-iodo-[1,2]oxazolo[5,4-b]pyridin-3-amine (PubChem CID 118867655) has the molecular formula C6H4IN3O and a molecular weight of 261.02 g/mol. Its IUPAC name is 5-iodo-[1,2]oxazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound Name5-iodo-[1,2]oxazolo[5,4-b]pyridin-3-amine
PubChem CID118867655
Molecular FormulaC6H4IN3O
Molecular Weight261.02 g/mol
Exact Mass260.94
IUPAC Name5-iodo-[1,2]oxazolo[5,4-b]pyridin-3-amine
SMILESNc1noc2ncc(I)cc12
InChIInChI=1S/C6H4IN3O/c7-3-1-4-5(8)10-11-6(4)9-2-3/h1-2H,(H2,8,10)
InChIKeyIINPFXZWINSOPA-UHFFFAOYSA-N
XLogP1.41
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.02
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-[1,2]oxazolo[5,4-b]pyridin-3-amine?
The IUPAC name of 5-iodo-[1,2]oxazolo[5,4-b]pyridin-3-amine (CID 118867655) is 5-iodo-[1,2]oxazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for 5-iodo-[1,2]oxazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for 5-iodo-[1,2]oxazolo[5,4-b]pyridin-3-amine is Nc1noc2ncc(I)cc12.
What is the InChIKey of 5-iodo-[1,2]oxazolo[5,4-b]pyridin-3-amine?
The InChIKey is IINPFXZWINSOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4IN3O/c7-3-1-4-5(8)10-11-6(4)9-2-3/h1-2H,(H2,8,10).
What are the key properties of 5-iodo-[1,2]oxazolo[5,4-b]pyridin-3-amine?
5-iodo-[1,2]oxazolo[5,4-b]pyridin-3-amine has a molecular weight of 261.02 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-[1,2]oxazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 118867655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).