2,5-bis(5-iodothiophen-2-yl)pyridine

C13H7I2NS2 — CID 57407540

IUPAC2,5-bis(5-iodothiophen-2-yl)pyridine
SMILESIc1ccc(-c2ccc(-c3ccc(I)s3)nc2)s1
InChIInChI=1S/C13H7I2NS2/c14-12-5-3-10(17-12)8-1-2-9(16-7-8)11-4-6-13(15)18-11/h1-7H
InChIKeyLETSXDBGTMOGIU-UHFFFAOYSA-N
MW495.15 g/mol
LogP5.75
Rot. Bonds2

About 2,5-bis(5-iodothiophen-2-yl)pyridine

2,5-bis(5-iodothiophen-2-yl)pyridine (PubChem CID 57407540) has the molecular formula C13H7I2NS2 and a molecular weight of 495.15 g/mol. Its IUPAC name is 2,5-bis(5-iodothiophen-2-yl)pyridine.

Molecular Properties

Compound Name2,5-bis(5-iodothiophen-2-yl)pyridine
PubChem CID57407540
Molecular FormulaC13H7I2NS2
Molecular Weight495.15 g/mol
Exact Mass494.81
IUPAC Name2,5-bis(5-iodothiophen-2-yl)pyridine
SMILESIc1ccc(-c2ccc(-c3ccc(I)s3)nc2)s1
InChIInChI=1S/C13H7I2NS2/c14-12-5-3-10(17-12)8-1-2-9(16-7-8)11-4-6-13(15)18-11/h1-7H
InChIKeyLETSXDBGTMOGIU-UHFFFAOYSA-N
XLogP5.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.15
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trimethoxy-[5-[5-(5-trimethoxysilylthiophen-2-yl)-2-pyridinyl]thiophen-2-yl]silane
CID 57407583
2-(5-iodothiophen-2-yl)quinoline
CID 125484417
5-(5-iodothiophen-2-yl)pyridine-3-carbonitrile
CID 59982887
1-[5-[5-[6-(1-aminoethenyl)-3-pyridinyl]thiophen-2-yl]-2-pyridinyl]ethenamine;1-[6-[5-[5-(1-aminoethenyl)-2-pyridinyl]thiophen-2-yl]-3-pyridinyl]ethenamine
CID 158431783
6-[4-(5-amino-2-pyridinyl)phenyl]pyridin-3-amine
CID 25187082
5-(5-pyridin-2-yl-2-pyridinyl)-1,3-thiazole
CID 58258289
ethane;6-(4-methylphenyl)pyridin-3-amine
CID 145467469
5-(5-iodothiophen-2-yl)-1H-pyrazole
CID 130909484
2-[5-[5-(5-iodothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]ethanol
CID 134963881
4-(5-iodothiophen-2-yl)-6-methylpyrimidin-2-amine
CID 53426321
5-(5-iodothiophen-2-yl)-1,3-dihydroindol-2-one
CID 90042193
2-methyl-5-(6-pyridin-4-yl-3-pyridinyl)thiophen-3-ol
CID 91276882

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(5-iodothiophen-2-yl)pyridine?
The IUPAC name of 2,5-bis(5-iodothiophen-2-yl)pyridine (CID 57407540) is 2,5-bis(5-iodothiophen-2-yl)pyridine.
What is the SMILES notation for 2,5-bis(5-iodothiophen-2-yl)pyridine?
The canonical SMILES for 2,5-bis(5-iodothiophen-2-yl)pyridine is Ic1ccc(-c2ccc(-c3ccc(I)s3)nc2)s1.
What is the InChIKey of 2,5-bis(5-iodothiophen-2-yl)pyridine?
The InChIKey is LETSXDBGTMOGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7I2NS2/c14-12-5-3-10(17-12)8-1-2-9(16-7-8)11-4-6-13(15)18-11/h1-7H.
What are the key properties of 2,5-bis(5-iodothiophen-2-yl)pyridine?
2,5-bis(5-iodothiophen-2-yl)pyridine has a molecular weight of 495.15 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(5-iodothiophen-2-yl)pyridine is sourced from PubChem (CID 57407540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).