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

C10H10N4O2 — CID 10488996

IUPAC2-methoxy-5-(2-methyltetrazol-5-yl)benzaldehyde
SMILESCOc1ccc(-c2nnn(C)n2)cc1C=O
InChIInChI=1S/C10H10N4O2/c1-14-12-10(11-13-14)7-3-4-9(16-2)8(5-7)6-15/h3-6H,1-2H3
InChIKeyVJYKDNKGQKIUSE-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.70
Rot. Bonds3

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

2-methoxy-5-(2-methyltetrazol-5-yl)benzaldehyde (PubChem CID 10488996) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-methoxy-5-(2-methyltetrazol-5-yl)benzaldehyde.

Molecular Properties

Compound Name2-methoxy-5-(2-methyltetrazol-5-yl)benzaldehyde
PubChem CID10488996
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-methoxy-5-(2-methyltetrazol-5-yl)benzaldehyde
SMILESCOc1ccc(-c2nnn(C)n2)cc1C=O
InChIInChI=1S/C10H10N4O2/c1-14-12-10(11-13-14)7-3-4-9(16-2)8(5-7)6-15/h3-6H,1-2H3
InChIKeyVJYKDNKGQKIUSE-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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Related Compounds

4-[(E)-3-[2-methoxy-5-(2-methyltetrazol-5-yl)phenyl]prop-2-enyl]-2-methyl-1,3-thiazole
CID 70253758
5-(1-ethyltetrazol-5-yl)-2-methoxybenzaldehyde
CID 22106604
5-(1,5-dimethylpyrazol-4-yl)-2-methoxybenzaldehyde
CID 66097421
CID 59526706
CID 59526706
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
CID 116810898
5-(4-methoxy-3,5-dimethylphenyl)-2-methyltetrazole
CID 14981819
2-methoxy-5-(thiadiazol-4-yl)benzaldehyde
CID 22620096
2-methoxy-5-(3-methyl-1-propylpyrazol-4-yl)benzaldehyde
CID 66020620
2-methoxy-5-(1-methyl-3-propylpyrazol-4-yl)benzaldehyde
CID 66009536
2-methoxy-5-(6-methyl-3-pyridinyl)benzaldehyde
CID 63157778
6-(2-methyltetrazol-5-yl)-1H-benzimidazole
CID 91211393
5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde
CID 54912342

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(2-methyltetrazol-5-yl)benzaldehyde?
The IUPAC name of 2-methoxy-5-(2-methyltetrazol-5-yl)benzaldehyde (CID 10488996) is 2-methoxy-5-(2-methyltetrazol-5-yl)benzaldehyde.
What is the SMILES notation for 2-methoxy-5-(2-methyltetrazol-5-yl)benzaldehyde?
The canonical SMILES for 2-methoxy-5-(2-methyltetrazol-5-yl)benzaldehyde is COc1ccc(-c2nnn(C)n2)cc1C=O.
What is the InChIKey of 2-methoxy-5-(2-methyltetrazol-5-yl)benzaldehyde?
The InChIKey is VJYKDNKGQKIUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-14-12-10(11-13-14)7-3-4-9(16-2)8(5-7)6-15/h3-6H,1-2H3.
What are the key properties of 2-methoxy-5-(2-methyltetrazol-5-yl)benzaldehyde?
2-methoxy-5-(2-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-(2-methyltetrazol-5-yl)benzaldehyde is sourced from PubChem (CID 10488996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).