4-(4-iodophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine

C14H8IN5OS — CID 44580674

IUPAC4-(4-iodophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
SMILESIc1ccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)cc1
InChIInChI=1S/C14H8IN5OS/c15-8-1-3-9(4-2-8)21-11-6-16-7-13-10(11)5-12(22-13)14-17-19-20-18-14/h1-7H,(H,17,18,19,20)
InChIKeyPQVDKUZOKMCUSV-UHFFFAOYSA-N
MW421.22 g/mol
LogP3.87
Rot. Bonds3

About 4-(4-iodophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine

4-(4-iodophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine (PubChem CID 44580674) has the molecular formula C14H8IN5OS and a molecular weight of 421.22 g/mol. Its IUPAC name is 4-(4-iodophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name4-(4-iodophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
PubChem CID44580674
Molecular FormulaC14H8IN5OS
Molecular Weight421.22 g/mol
Exact Mass420.95
IUPAC Name4-(4-iodophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
SMILESIc1ccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)cc1
InChIInChI=1S/C14H8IN5OS/c15-8-1-3-9(4-2-8)21-11-6-16-7-13-10(11)5-12(22-13)14-17-19-20-18-14/h1-7H,(H,17,18,19,20)
InChIKeyPQVDKUZOKMCUSV-UHFFFAOYSA-N
XLogP3.87
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.22
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
The IUPAC name of 4-(4-iodophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine (CID 44580674) is 4-(4-iodophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine.
What is the SMILES notation for 4-(4-iodophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
The canonical SMILES for 4-(4-iodophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine is Ic1ccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)cc1.
What is the InChIKey of 4-(4-iodophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
The InChIKey is PQVDKUZOKMCUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8IN5OS/c15-8-1-3-9(4-2-8)21-11-6-16-7-13-10(11)5-12(22-13)14-17-19-20-18-14/h1-7H,(H,17,18,19,20).
What are the key properties of 4-(4-iodophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
4-(4-iodophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine has a molecular weight of 421.22 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine is sourced from PubChem (CID 44580674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).