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

C14H8BrN5OS — CID 44580716

IUPAC4-(4-bromophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
SMILESBrc1ccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)cc1
InChIInChI=1S/C14H8BrN5OS/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)
InChIKeyXCHVJAAZPCJJBD-UHFFFAOYSA-N
MW374.22 g/mol
LogP4.03
Rot. Bonds3

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

4-(4-bromophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine (PubChem CID 44580716) has the molecular formula C14H8BrN5OS and a molecular weight of 374.22 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name4-(4-bromophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
PubChem CID44580716
Molecular FormulaC14H8BrN5OS
Molecular Weight374.22 g/mol
Exact Mass372.96
IUPAC Name4-(4-bromophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
SMILESBrc1ccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)cc1
InChIInChI=1S/C14H8BrN5OS/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)
InChIKeyXCHVJAAZPCJJBD-UHFFFAOYSA-N
XLogP4.03
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
The IUPAC name of 4-(4-bromophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine (CID 44580716) is 4-(4-bromophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine.
What is the SMILES notation for 4-(4-bromophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
The canonical SMILES for 4-(4-bromophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine is Brc1ccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)cc1.
What is the InChIKey of 4-(4-bromophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
The InChIKey is XCHVJAAZPCJJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrN5OS/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-bromophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
4-(4-bromophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine has a molecular weight of 374.22 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine is sourced from PubChem (CID 44580716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).