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

C10H10N4O2 — CID 10512993

IUPAC2-methoxy-5-(1-methyltetrazol-5-yl)benzaldehyde
SMILESCOc1ccc(-c2nnnn2C)cc1C=O
InChIInChI=1S/C10H10N4O2/c1-14-10(11-12-13-14)7-3-4-9(16-2)8(5-7)6-15/h3-6H,1-2H3
InChIKeyRRRANKAAMRHRNT-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.70
Rot. Bonds3

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

2-methoxy-5-(1-methyltetrazol-5-yl)benzaldehyde (PubChem CID 10512993) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-methoxy-5-(1-methyltetrazol-5-yl)benzaldehyde.

Molecular Properties

Compound Name2-methoxy-5-(1-methyltetrazol-5-yl)benzaldehyde
PubChem CID10512993
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-methoxy-5-(1-methyltetrazol-5-yl)benzaldehyde
SMILESCOc1ccc(-c2nnnn2C)cc1C=O
InChIInChI=1S/C10H10N4O2/c1-14-10(11-12-13-14)7-3-4-9(16-2)8(5-7)6-15/h3-6H,1-2H3
InChIKeyRRRANKAAMRHRNT-UHFFFAOYSA-N
XLogP0.70
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.70
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-(1-methyltetrazol-5-yl)benzaldehyde?
The IUPAC name of 2-methoxy-5-(1-methyltetrazol-5-yl)benzaldehyde (CID 10512993) is 2-methoxy-5-(1-methyltetrazol-5-yl)benzaldehyde.
What is the SMILES notation for 2-methoxy-5-(1-methyltetrazol-5-yl)benzaldehyde?
The canonical SMILES for 2-methoxy-5-(1-methyltetrazol-5-yl)benzaldehyde is COc1ccc(-c2nnnn2C)cc1C=O.
What is the InChIKey of 2-methoxy-5-(1-methyltetrazol-5-yl)benzaldehyde?
The InChIKey is RRRANKAAMRHRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-14-10(11-12-13-14)7-3-4-9(16-2)8(5-7)6-15/h3-6H,1-2H3.
What are the key properties of 2-methoxy-5-(1-methyltetrazol-5-yl)benzaldehyde?
2-methoxy-5-(1-methyltetrazol-5-yl)benzaldehyde has a molecular weight of 218.22 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(1-methyltetrazol-5-yl)benzaldehyde is sourced from PubChem (CID 10512993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).