5-iodo-[1,2,4]triazolo[1,5-a]pyridin-6-ol

C6H4IN3O — CID 178200008

IUPAC5-iodo-[1,2,4]triazolo[1,5-a]pyridin-6-ol
SMILESOc1ccc2ncnn2c1I
InChIInChI=1S/C6H4IN3O/c7-6-4(11)1-2-5-8-3-9-10(5)6/h1-3,11H
InChIKeySSCFPGCMCTYHDO-UHFFFAOYSA-N
MW261.02 g/mol
LogP1.04
Rot. Bonds

About 5-iodo-[1,2,4]triazolo[1,5-a]pyridin-6-ol

5-iodo-[1,2,4]triazolo[1,5-a]pyridin-6-ol (PubChem CID 178200008) has the molecular formula C6H4IN3O and a molecular weight of 261.02 g/mol. Its IUPAC name is 5-iodo-[1,2,4]triazolo[1,5-a]pyridin-6-ol.

Molecular Properties

Compound Name5-iodo-[1,2,4]triazolo[1,5-a]pyridin-6-ol
PubChem CID178200008
Molecular FormulaC6H4IN3O
Molecular Weight261.02 g/mol
Exact Mass260.94
IUPAC Name5-iodo-[1,2,4]triazolo[1,5-a]pyridin-6-ol
SMILESOc1ccc2ncnn2c1I
InChIInChI=1S/C6H4IN3O/c7-6-4(11)1-2-5-8-3-9-10(5)6/h1-3,11H
InChIKeySSCFPGCMCTYHDO-UHFFFAOYSA-N
XLogP1.04
TPSA50.42 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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-iodo-[1,2,4]triazolo[1,5-a]pyridin-6-ol?
The IUPAC name of 5-iodo-[1,2,4]triazolo[1,5-a]pyridin-6-ol (CID 178200008) is 5-iodo-[1,2,4]triazolo[1,5-a]pyridin-6-ol.
What is the SMILES notation for 5-iodo-[1,2,4]triazolo[1,5-a]pyridin-6-ol?
The canonical SMILES for 5-iodo-[1,2,4]triazolo[1,5-a]pyridin-6-ol is Oc1ccc2ncnn2c1I.
What is the InChIKey of 5-iodo-[1,2,4]triazolo[1,5-a]pyridin-6-ol?
The InChIKey is SSCFPGCMCTYHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4IN3O/c7-6-4(11)1-2-5-8-3-9-10(5)6/h1-3,11H.
What are the key properties of 5-iodo-[1,2,4]triazolo[1,5-a]pyridin-6-ol?
5-iodo-[1,2,4]triazolo[1,5-a]pyridin-6-ol has a molecular weight of 261.02 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-[1,2,4]triazolo[1,5-a]pyridin-6-ol is sourced from PubChem (CID 178200008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).