5-(2H-tetrazol-5-yl)-1-benzofuran-7-carbaldehyde

C10H6N4O2 — CID 57022861

IUPAC5-(2H-tetrazol-5-yl)-1-benzofuran-7-carbaldehyde
SMILESO=Cc1cc(-c2nn[nH]n2)cc2ccoc12
InChIInChI=1S/C10H6N4O2/c15-5-8-4-7(10-11-13-14-12-10)3-6-1-2-16-9(6)8/h1-5H,(H,11,12,13,14)
InChIKeySYJPPYGPRBVHFK-UHFFFAOYSA-N
MW214.18 g/mol
LogP1.43
Rot. Bonds2

About 5-(2H-tetrazol-5-yl)-1-benzofuran-7-carbaldehyde

5-(2H-tetrazol-5-yl)-1-benzofuran-7-carbaldehyde (PubChem CID 57022861) has the molecular formula C10H6N4O2 and a molecular weight of 214.18 g/mol. Its IUPAC name is 5-(2H-tetrazol-5-yl)-1-benzofuran-7-carbaldehyde.

Molecular Properties

Compound Name5-(2H-tetrazol-5-yl)-1-benzofuran-7-carbaldehyde
PubChem CID57022861
Molecular FormulaC10H6N4O2
Molecular Weight214.18 g/mol
Exact Mass214.05
IUPAC Name5-(2H-tetrazol-5-yl)-1-benzofuran-7-carbaldehyde
SMILESO=Cc1cc(-c2nn[nH]n2)cc2ccoc12
InChIInChI=1S/C10H6N4O2/c15-5-8-4-7(10-11-13-14-12-10)3-6-1-2-16-9(6)8/h1-5H,(H,11,12,13,14)
InChIKeySYJPPYGPRBVHFK-UHFFFAOYSA-N
XLogP1.43
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2H-tetrazol-5-yl)-1-benzofuran-7-carbaldehyde?
The IUPAC name of 5-(2H-tetrazol-5-yl)-1-benzofuran-7-carbaldehyde (CID 57022861) is 5-(2H-tetrazol-5-yl)-1-benzofuran-7-carbaldehyde.
What is the SMILES notation for 5-(2H-tetrazol-5-yl)-1-benzofuran-7-carbaldehyde?
The canonical SMILES for 5-(2H-tetrazol-5-yl)-1-benzofuran-7-carbaldehyde is O=Cc1cc(-c2nn[nH]n2)cc2ccoc12.
What is the InChIKey of 5-(2H-tetrazol-5-yl)-1-benzofuran-7-carbaldehyde?
The InChIKey is SYJPPYGPRBVHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O2/c15-5-8-4-7(10-11-13-14-12-10)3-6-1-2-16-9(6)8/h1-5H,(H,11,12,13,14).
What are the key properties of 5-(2H-tetrazol-5-yl)-1-benzofuran-7-carbaldehyde?
5-(2H-tetrazol-5-yl)-1-benzofuran-7-carbaldehyde has a molecular weight of 214.18 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-tetrazol-5-yl)-1-benzofuran-7-carbaldehyde is sourced from PubChem (CID 57022861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).