2-(5-chloro-2-pyridinyl)-5-iodo-1,3,4-oxadiazole

C7H3ClIN3O — CID 114771551

IUPAC2-(5-chloro-2-pyridinyl)-5-iodo-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(I)o2)nc1
InChIInChI=1S/C7H3ClIN3O/c8-4-1-2-5(10-3-4)6-11-12-7(9)13-6/h1-3H
InChIKeyGVXNQYBBULBDLX-UHFFFAOYSA-N
MW307.48 g/mol
LogP2.39
Rot. Bonds1

About 2-(5-chloro-2-pyridinyl)-5-iodo-1,3,4-oxadiazole

2-(5-chloro-2-pyridinyl)-5-iodo-1,3,4-oxadiazole (PubChem CID 114771551) has the molecular formula C7H3ClIN3O and a molecular weight of 307.48 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-5-iodo-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)-5-iodo-1,3,4-oxadiazole
PubChem CID114771551
Molecular FormulaC7H3ClIN3O
Molecular Weight307.48 g/mol
Exact Mass306.90
IUPAC Name2-(5-chloro-2-pyridinyl)-5-iodo-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(I)o2)nc1
InChIInChI=1S/C7H3ClIN3O/c8-4-1-2-5(10-3-4)6-11-12-7(9)13-6/h1-3H
InChIKeyGVXNQYBBULBDLX-UHFFFAOYSA-N
XLogP2.39
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 52.39
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

2-iodo-5-(2-methylpyrimidin-4-yl)-1,3,4-oxadiazole
CID 131029013
2-iodo-5-(1,3-thiazol-4-yl)-1,3,4-oxadiazole
CID 114771755
2-(2-chlorofuran-3-yl)-5-iodo-1,3,4-oxadiazole
CID 106690827
2-(5-chloro-2-methoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771469
5-chloro-2-(1-methylpyrazol-3-yl)pyridine
CID 162761078
6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-3-amine
CID 146552784
2-(5-bromo-3-pyridinyl)-5-iodo-1,3,4-oxadiazole
CID 114771628
4-(5-chloro-2-pyridinyl)-1,3-oxazol-2-amine
CID 171157533
5-chloro-2-(2,4,5-trichlorophenyl)pyridine
CID 134629473
5-chloro-2-(3,4-dichlorophenyl)pyridine
CID 133088015
2-(5-chloro-2-pyridinyl)-1,3-benzoxazole-5-carboxylic acid
CID 81357525
2-(3-chloro-5-methylphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771652

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-5-iodo-1,3,4-oxadiazole?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-5-iodo-1,3,4-oxadiazole (CID 114771551) is 2-(5-chloro-2-pyridinyl)-5-iodo-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-5-iodo-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-5-iodo-1,3,4-oxadiazole is Clc1ccc(-c2nnc(I)o2)nc1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-5-iodo-1,3,4-oxadiazole?
The InChIKey is GVXNQYBBULBDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClIN3O/c8-4-1-2-5(10-3-4)6-11-12-7(9)13-6/h1-3H.
What are the key properties of 2-(5-chloro-2-pyridinyl)-5-iodo-1,3,4-oxadiazole?
2-(5-chloro-2-pyridinyl)-5-iodo-1,3,4-oxadiazole has a molecular weight of 307.48 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-5-iodo-1,3,4-oxadiazole is sourced from PubChem (CID 114771551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).