2-(2-formylphenyl)-3-(2H-tetrazol-5-yl)benzaldehyde

C15H10N4O2 — CID 87260075

IUPAC2-(2-formylphenyl)-3-(2H-tetrazol-5-yl)benzaldehyde
SMILESO=Cc1ccccc1-c1c(C=O)cccc1-c1nn[nH]n1
InChIInChI=1S/C15H10N4O2/c20-8-10-4-1-2-6-12(10)14-11(9-21)5-3-7-13(14)15-16-18-19-17-15/h1-9H,(H,16,17,18,19)
InChIKeyOMRGTJNNFRJVMJ-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.16
Rot. Bonds4

About 2-(2-formylphenyl)-3-(2H-tetrazol-5-yl)benzaldehyde

2-(2-formylphenyl)-3-(2H-tetrazol-5-yl)benzaldehyde (PubChem CID 87260075) has the molecular formula C15H10N4O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-(2-formylphenyl)-3-(2H-tetrazol-5-yl)benzaldehyde.

Molecular Properties

Compound Name2-(2-formylphenyl)-3-(2H-tetrazol-5-yl)benzaldehyde
PubChem CID87260075
Molecular FormulaC15H10N4O2
Molecular Weight278.27 g/mol
Exact Mass278.08
IUPAC Name2-(2-formylphenyl)-3-(2H-tetrazol-5-yl)benzaldehyde
SMILESO=Cc1ccccc1-c1c(C=O)cccc1-c1nn[nH]n1
InChIInChI=1S/C15H10N4O2/c20-8-10-4-1-2-6-12(10)14-11(9-21)5-3-7-13(14)15-16-18-19-17-15/h1-9H,(H,16,17,18,19)
InChIKeyOMRGTJNNFRJVMJ-UHFFFAOYSA-N
XLogP2.16
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.16
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-(2-formylphenyl)-3-(2H-tetrazol-5-yl)benzaldehyde?
The IUPAC name of 2-(2-formylphenyl)-3-(2H-tetrazol-5-yl)benzaldehyde (CID 87260075) is 2-(2-formylphenyl)-3-(2H-tetrazol-5-yl)benzaldehyde.
What is the SMILES notation for 2-(2-formylphenyl)-3-(2H-tetrazol-5-yl)benzaldehyde?
The canonical SMILES for 2-(2-formylphenyl)-3-(2H-tetrazol-5-yl)benzaldehyde is O=Cc1ccccc1-c1c(C=O)cccc1-c1nn[nH]n1.
What is the InChIKey of 2-(2-formylphenyl)-3-(2H-tetrazol-5-yl)benzaldehyde?
The InChIKey is OMRGTJNNFRJVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2/c20-8-10-4-1-2-6-12(10)14-11(9-21)5-3-7-13(14)15-16-18-19-17-15/h1-9H,(H,16,17,18,19).
What are the key properties of 2-(2-formylphenyl)-3-(2H-tetrazol-5-yl)benzaldehyde?
2-(2-formylphenyl)-3-(2H-tetrazol-5-yl)benzaldehyde has a molecular weight of 278.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylphenyl)-3-(2H-tetrazol-5-yl)benzaldehyde is sourced from PubChem (CID 87260075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).