7-chloro-6-iodothieno[3,2-b]pyridine

C7H3ClINS — CID 86717472

IUPAC7-chloro-6-iodothieno[3,2-b]pyridine
SMILESClc1c(I)cnc2ccsc12
InChIInChI=1S/C7H3ClINS/c8-6-4(9)3-10-5-1-2-11-7(5)6/h1-3H
InChIKeyYLDUIWHPOFIVEJ-UHFFFAOYSA-N
MW295.53 g/mol
LogP3.55
Rot. Bonds

About 7-chloro-6-iodothieno[3,2-b]pyridine

7-chloro-6-iodothieno[3,2-b]pyridine (PubChem CID 86717472) has the molecular formula C7H3ClINS and a molecular weight of 295.53 g/mol. Its IUPAC name is 7-chloro-6-iodothieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-chloro-6-iodothieno[3,2-b]pyridine
PubChem CID86717472
Molecular FormulaC7H3ClINS
Molecular Weight295.53 g/mol
Exact Mass294.87
IUPAC Name7-chloro-6-iodothieno[3,2-b]pyridine
SMILESClc1c(I)cnc2ccsc12
InChIInChI=1S/C7H3ClINS/c8-6-4(9)3-10-5-1-2-11-7(5)6/h1-3H
InChIKeyYLDUIWHPOFIVEJ-UHFFFAOYSA-N
XLogP3.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.53
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-iodothieno[3,2-b]pyridine?
The IUPAC name of 7-chloro-6-iodothieno[3,2-b]pyridine (CID 86717472) is 7-chloro-6-iodothieno[3,2-b]pyridine.
What is the SMILES notation for 7-chloro-6-iodothieno[3,2-b]pyridine?
The canonical SMILES for 7-chloro-6-iodothieno[3,2-b]pyridine is Clc1c(I)cnc2ccsc12.
What is the InChIKey of 7-chloro-6-iodothieno[3,2-b]pyridine?
The InChIKey is YLDUIWHPOFIVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClINS/c8-6-4(9)3-10-5-1-2-11-7(5)6/h1-3H.
What are the key properties of 7-chloro-6-iodothieno[3,2-b]pyridine?
7-chloro-6-iodothieno[3,2-b]pyridine has a molecular weight of 295.53 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-iodothieno[3,2-b]pyridine is sourced from PubChem (CID 86717472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).