2-(4-iodo-2-pyridinyl)-1,3,4-oxadiazole

C7H4IN3O — CID 171373689

IUPAC2-(4-iodo-2-pyridinyl)-1,3,4-oxadiazole
SMILESIc1ccnc(-c2nnco2)c1
InChIInChI=1S/C7H4IN3O/c8-5-1-2-9-6(3-5)7-11-10-4-12-7/h1-4H
InChIKeyGONXRAVTROHVMP-UHFFFAOYSA-N
MW273.03 g/mol
LogP1.74
Rot. Bonds1

About 2-(4-iodo-2-pyridinyl)-1,3,4-oxadiazole

2-(4-iodo-2-pyridinyl)-1,3,4-oxadiazole (PubChem CID 171373689) has the molecular formula C7H4IN3O and a molecular weight of 273.03 g/mol. Its IUPAC name is 2-(4-iodo-2-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-iodo-2-pyridinyl)-1,3,4-oxadiazole
PubChem CID171373689
Molecular FormulaC7H4IN3O
Molecular Weight273.03 g/mol
Exact Mass272.94
IUPAC Name2-(4-iodo-2-pyridinyl)-1,3,4-oxadiazole
SMILESIc1ccnc(-c2nnco2)c1
InChIInChI=1S/C7H4IN3O/c8-5-1-2-9-6(3-5)7-11-10-4-12-7/h1-4H
InChIKeyGONXRAVTROHVMP-UHFFFAOYSA-N
XLogP1.74
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.03
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(4-methyl-2-pyridinyl)-1,3,4-oxadiazole
CID 168929695
2-(2-fluoro-4-iodophenyl)-1,3,4-oxadiazole
CID 171373650
3-bromo-4-(1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 126482429
2-(4-bromo-3-iodophenyl)-1,3,4-oxadiazole
CID 171373723
2-(5-chloro-2-iodophenyl)-1,3,4-oxadiazole
CID 171373730
2-(4-ethylpyrimidin-2-yl)-1,3,4-oxadiazole
CID 170099421
2-(5-cyclopropyl-2-pyridinyl)-1,3,4-oxadiazole
CID 90728853
2-(5-propyl-2-pyridinyl)-1,3,4-oxadiazole
CID 177017103
2-(5,6,7,8-tetrahydroquinolin-4-yl)-1,3,4-oxadiazole
CID 142635435
2-(2-methyl-1,3-oxazol-4-yl)-1,3,4-oxadiazole
CID 58646237
2-(3,4-dimethoxyphenyl)-4-iodopyridine
CID 138723153
3,4,5-triethoxy-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]benzamide
CID 23649282

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-2-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-iodo-2-pyridinyl)-1,3,4-oxadiazole (CID 171373689) is 2-(4-iodo-2-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-iodo-2-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-iodo-2-pyridinyl)-1,3,4-oxadiazole is Ic1ccnc(-c2nnco2)c1.
What is the InChIKey of 2-(4-iodo-2-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is GONXRAVTROHVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4IN3O/c8-5-1-2-9-6(3-5)7-11-10-4-12-7/h1-4H.
What are the key properties of 2-(4-iodo-2-pyridinyl)-1,3,4-oxadiazole?
2-(4-iodo-2-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 273.03 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-2-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 171373689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).