6-(3-iodo-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile

C8H3IN4O — CID 112572198

IUPAC6-(3-iodo-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2nc(I)no2)nc1
InChIInChI=1S/C8H3IN4O/c9-8-12-7(14-13-8)6-2-1-5(3-10)4-11-6/h1-2,4H
InChIKeyQULWHPHQIMKTSP-UHFFFAOYSA-N
MW298.04 g/mol
LogP1.61
Rot. Bonds1

About 6-(3-iodo-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile

6-(3-iodo-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile (PubChem CID 112572198) has the molecular formula C8H3IN4O and a molecular weight of 298.04 g/mol. Its IUPAC name is 6-(3-iodo-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-iodo-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
PubChem CID112572198
Molecular FormulaC8H3IN4O
Molecular Weight298.04 g/mol
Exact Mass297.94
IUPAC Name6-(3-iodo-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2nc(I)no2)nc1
InChIInChI=1S/C8H3IN4O/c9-8-12-7(14-13-8)6-2-1-5(3-10)4-11-6/h1-2,4H
InChIKeyQULWHPHQIMKTSP-UHFFFAOYSA-N
XLogP1.61
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.04
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 113233892
6-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 106525265
6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 71876923
6-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 63748662
6-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 106526743
6-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 71921724
6-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 106527255
6-[4-(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
CID 11849612
6-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 63748661
5-(5-cyano-2-pyridinyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 106527913
6-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 106526066
5-amino-2-(5-cyano-2-pyridinyl)-1,3-oxazole-4-carbonitrile
CID 66007820

Frequently Asked Questions

What is the IUPAC name of 6-(3-iodo-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(3-iodo-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile (CID 112572198) is 6-(3-iodo-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-iodo-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-iodo-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile is N#Cc1ccc(-c2nc(I)no2)nc1.
What is the InChIKey of 6-(3-iodo-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile?
The InChIKey is QULWHPHQIMKTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3IN4O/c9-8-12-7(14-13-8)6-2-1-5(3-10)4-11-6/h1-2,4H.
What are the key properties of 6-(3-iodo-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile?
6-(3-iodo-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile has a molecular weight of 298.04 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-iodo-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 112572198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).