2-hydroxy-5-(5-methyltetrazol-1-yl)benzaldehyde

C9H8N4O2 — CID 21197257

IUPAC2-hydroxy-5-(5-methyltetrazol-1-yl)benzaldehyde
SMILESCc1nnnn1-c1ccc(O)c(C=O)c1
InChIInChI=1S/C9H8N4O2/c1-6-10-11-12-13(6)8-2-3-9(15)7(4-8)5-14/h2-5,15H,1H3
InChIKeyXVCGKPAZYGTQET-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.49
Rot. Bonds2

About 2-hydroxy-5-(5-methyltetrazol-1-yl)benzaldehyde

2-hydroxy-5-(5-methyltetrazol-1-yl)benzaldehyde (PubChem CID 21197257) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-hydroxy-5-(5-methyltetrazol-1-yl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-(5-methyltetrazol-1-yl)benzaldehyde
PubChem CID21197257
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name2-hydroxy-5-(5-methyltetrazol-1-yl)benzaldehyde
SMILESCc1nnnn1-c1ccc(O)c(C=O)c1
InChIInChI=1S/C9H8N4O2/c1-6-10-11-12-13(6)8-2-3-9(15)7(4-8)5-14/h2-5,15H,1H3
InChIKeyXVCGKPAZYGTQET-UHFFFAOYSA-N
XLogP0.49
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.49
H-Bond Donors ≤ 51
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-hydroxy-5-(5-methyltetrazol-1-yl)benzaldehyde?
The IUPAC name of 2-hydroxy-5-(5-methyltetrazol-1-yl)benzaldehyde (CID 21197257) is 2-hydroxy-5-(5-methyltetrazol-1-yl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-5-(5-methyltetrazol-1-yl)benzaldehyde?
The canonical SMILES for 2-hydroxy-5-(5-methyltetrazol-1-yl)benzaldehyde is Cc1nnnn1-c1ccc(O)c(C=O)c1.
What is the InChIKey of 2-hydroxy-5-(5-methyltetrazol-1-yl)benzaldehyde?
The InChIKey is XVCGKPAZYGTQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c1-6-10-11-12-13(6)8-2-3-9(15)7(4-8)5-14/h2-5,15H,1H3.
What are the key properties of 2-hydroxy-5-(5-methyltetrazol-1-yl)benzaldehyde?
2-hydroxy-5-(5-methyltetrazol-1-yl)benzaldehyde has a molecular weight of 204.19 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(5-methyltetrazol-1-yl)benzaldehyde is sourced from PubChem (CID 21197257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).