2,3-diiodo-6-thiophen-2-ylpyridine

C9H5I2NS — CID 118059126

IUPAC2,3-diiodo-6-thiophen-2-ylpyridine
SMILESIc1ccc(-c2cccs2)nc1I
InChIInChI=1S/C9H5I2NS/c10-6-3-4-7(12-9(6)11)8-2-1-5-13-8/h1-5H
InChIKeyCSPWOLWYNRBTJX-UHFFFAOYSA-N
MW413.02 g/mol
LogP4.02
Rot. Bonds1

About 2,3-diiodo-6-thiophen-2-ylpyridine

2,3-diiodo-6-thiophen-2-ylpyridine (PubChem CID 118059126) has the molecular formula C9H5I2NS and a molecular weight of 413.02 g/mol. Its IUPAC name is 2,3-diiodo-6-thiophen-2-ylpyridine.

Molecular Properties

Compound Name2,3-diiodo-6-thiophen-2-ylpyridine
PubChem CID118059126
Molecular FormulaC9H5I2NS
Molecular Weight413.02 g/mol
Exact Mass412.82
IUPAC Name2,3-diiodo-6-thiophen-2-ylpyridine
SMILESIc1ccc(-c2cccs2)nc1I
InChIInChI=1S/C9H5I2NS/c10-6-3-4-7(12-9(6)11)8-2-1-5-13-8/h1-5H
InChIKeyCSPWOLWYNRBTJX-UHFFFAOYSA-N
XLogP4.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.02
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,6-bis[5-[6-[5-(6-thiophen-2-yl-2-pyridinyl)thiophen-2-yl]-2-pyridinyl]thiophen-2-yl]pyridine
CID 102326398
2-methyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine
CID 23353104
8-fluoro-2-thiophen-2-ylquinoline
CID 142776739
2,4-dimethyl-6-thiophen-2-ylpyrimidine
CID 15626100
2-tert-butyl-6-thiophen-2-ylpyridine
CID 15128602
3-chloro-6-thiophen-2-ylpyridazine
CID 6404701
1-(2-methyl-6-thiophen-2-yl-3-pyridinyl)ethanone
CID 66490371
2-tert-butyl-4-thiophen-2-ylpyrimidine
CID 58930423
2-(methylamino)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 62197120
2-methylsulfanyl-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82119497
3-iodo-4-thiophen-2-yl-1,2-oxazole
CID 166786121
3-methyl-6-thiophen-2-yl-1,2,4-triazine
CID 135139824

Frequently Asked Questions

What is the IUPAC name of 2,3-diiodo-6-thiophen-2-ylpyridine?
The IUPAC name of 2,3-diiodo-6-thiophen-2-ylpyridine (CID 118059126) is 2,3-diiodo-6-thiophen-2-ylpyridine.
What is the SMILES notation for 2,3-diiodo-6-thiophen-2-ylpyridine?
The canonical SMILES for 2,3-diiodo-6-thiophen-2-ylpyridine is Ic1ccc(-c2cccs2)nc1I.
What is the InChIKey of 2,3-diiodo-6-thiophen-2-ylpyridine?
The InChIKey is CSPWOLWYNRBTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5I2NS/c10-6-3-4-7(12-9(6)11)8-2-1-5-13-8/h1-5H.
What are the key properties of 2,3-diiodo-6-thiophen-2-ylpyridine?
2,3-diiodo-6-thiophen-2-ylpyridine has a molecular weight of 413.02 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diiodo-6-thiophen-2-ylpyridine is sourced from PubChem (CID 118059126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).