2-methoxy-5-(tetrazol-1-ylmethyl)benzaldehyde

C10H10N4O2 — CID 22106572

IUPAC2-methoxy-5-(tetrazol-1-ylmethyl)benzaldehyde
SMILESCOc1ccc(Cn2cnnn2)cc1C=O
InChIInChI=1S/C10H10N4O2/c1-16-10-3-2-8(4-9(10)6-15)5-14-7-11-12-13-14/h2-4,6-7H,5H2,1H3
InChIKeyBYYVHDGSSPZEAN-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.54
Rot. Bonds4

About 2-methoxy-5-(tetrazol-1-ylmethyl)benzaldehyde

2-methoxy-5-(tetrazol-1-ylmethyl)benzaldehyde (PubChem CID 22106572) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-methoxy-5-(tetrazol-1-ylmethyl)benzaldehyde.

Molecular Properties

Compound Name2-methoxy-5-(tetrazol-1-ylmethyl)benzaldehyde
PubChem CID22106572
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-methoxy-5-(tetrazol-1-ylmethyl)benzaldehyde
SMILESCOc1ccc(Cn2cnnn2)cc1C=O
InChIInChI=1S/C10H10N4O2/c1-16-10-3-2-8(4-9(10)6-15)5-14-7-11-12-13-14/h2-4,6-7H,5H2,1H3
InChIKeyBYYVHDGSSPZEAN-UHFFFAOYSA-N
XLogP0.54
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(tetrazol-1-ylmethyl)benzaldehyde?
The IUPAC name of 2-methoxy-5-(tetrazol-1-ylmethyl)benzaldehyde (CID 22106572) is 2-methoxy-5-(tetrazol-1-ylmethyl)benzaldehyde.
What is the SMILES notation for 2-methoxy-5-(tetrazol-1-ylmethyl)benzaldehyde?
The canonical SMILES for 2-methoxy-5-(tetrazol-1-ylmethyl)benzaldehyde is COc1ccc(Cn2cnnn2)cc1C=O.
What is the InChIKey of 2-methoxy-5-(tetrazol-1-ylmethyl)benzaldehyde?
The InChIKey is BYYVHDGSSPZEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-16-10-3-2-8(4-9(10)6-15)5-14-7-11-12-13-14/h2-4,6-7H,5H2,1H3.
What are the key properties of 2-methoxy-5-(tetrazol-1-ylmethyl)benzaldehyde?
2-methoxy-5-(tetrazol-1-ylmethyl)benzaldehyde has a molecular weight of 218.22 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(tetrazol-1-ylmethyl)benzaldehyde is sourced from PubChem (CID 22106572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).