2-methoxy-5-(2H-tetrazol-5-yl)benzaldehyde

C9H8N4O2 — CID 10703353

IUPAC2-methoxy-5-(2H-tetrazol-5-yl)benzaldehyde
SMILESCOc1ccc(-c2nn[nH]n2)cc1C=O
InChIInChI=1S/C9H8N4O2/c1-15-8-3-2-6(4-7(8)5-14)9-10-12-13-11-9/h2-5H,1H3,(H,10,11,12,13)
InChIKeyVBEHKYGAZVEBIA-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.69
Rot. Bonds3

About 2-methoxy-5-(2H-tetrazol-5-yl)benzaldehyde

2-methoxy-5-(2H-tetrazol-5-yl)benzaldehyde (PubChem CID 10703353) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-methoxy-5-(2H-tetrazol-5-yl)benzaldehyde.

Molecular Properties

Compound Name2-methoxy-5-(2H-tetrazol-5-yl)benzaldehyde
PubChem CID10703353
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name2-methoxy-5-(2H-tetrazol-5-yl)benzaldehyde
SMILESCOc1ccc(-c2nn[nH]n2)cc1C=O
InChIInChI=1S/C9H8N4O2/c1-15-8-3-2-6(4-7(8)5-14)9-10-12-13-11-9/h2-5H,1H3,(H,10,11,12,13)
InChIKeyVBEHKYGAZVEBIA-UHFFFAOYSA-N
XLogP0.69
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.69
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 2-methoxy-5-(2H-tetrazol-5-yl)benzaldehyde?
The IUPAC name of 2-methoxy-5-(2H-tetrazol-5-yl)benzaldehyde (CID 10703353) is 2-methoxy-5-(2H-tetrazol-5-yl)benzaldehyde.
What is the SMILES notation for 2-methoxy-5-(2H-tetrazol-5-yl)benzaldehyde?
The canonical SMILES for 2-methoxy-5-(2H-tetrazol-5-yl)benzaldehyde is COc1ccc(-c2nn[nH]n2)cc1C=O.
What is the InChIKey of 2-methoxy-5-(2H-tetrazol-5-yl)benzaldehyde?
The InChIKey is VBEHKYGAZVEBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c1-15-8-3-2-6(4-7(8)5-14)9-10-12-13-11-9/h2-5H,1H3,(H,10,11,12,13).
What are the key properties of 2-methoxy-5-(2H-tetrazol-5-yl)benzaldehyde?
2-methoxy-5-(2H-tetrazol-5-yl)benzaldehyde has a molecular weight of 204.19 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(2H-tetrazol-5-yl)benzaldehyde is sourced from PubChem (CID 10703353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).