5-azido-2-methoxybenzaldehyde

C8H7N3O2 — CID 54764214

IUPAC5-azido-2-methoxybenzaldehyde
SMILESCOc1ccc(N=[N+]=[N-])cc1C=O
InChIInChI=1S/C8H7N3O2/c1-13-8-3-2-7(10-11-9)4-6(8)5-12/h2-5H,1H3
InChIKeyXLGCGRHNVPNMJI-UHFFFAOYSA-N
MW177.16 g/mol
LogP2.45
Rot. Bonds3

About 5-azido-2-methoxybenzaldehyde

5-azido-2-methoxybenzaldehyde (PubChem CID 54764214) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 5-azido-2-methoxybenzaldehyde.

Molecular Properties

Compound Name5-azido-2-methoxybenzaldehyde
PubChem CID54764214
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name5-azido-2-methoxybenzaldehyde
SMILESCOc1ccc(N=[N+]=[N-])cc1C=O
InChIInChI=1S/C8H7N3O2/c1-13-8-3-2-7(10-11-9)4-6(8)5-12/h2-5H,1H3
InChIKeyXLGCGRHNVPNMJI-UHFFFAOYSA-N
XLogP2.45
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-azido-2-hydroxybenzaldehyde
CID 14543957
N-(5-azido-2-methoxyphenyl)acetamide
CID 151085292
2-azido-5-chloro-4-methoxybenzaldehyde
CID 129103842
2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde
CID 56838314
2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864
N-(4-azido-2-methoxyphenyl)methanesulfonamide
CID 151163168
5-[bis(3-formyl-4-methoxyphenyl)-hydroxymethyl]-2-methoxybenzaldehyde
CID 71479368
2-methoxy-5-(methylamino)benzaldehyde
CID 91654246
4-azido-N-ethyl-2-methoxybenzamide
CID 140535521
3-(4-azido-2-methoxyphenoxy)pyridine
CID 152567738
3-azido-N-(3,4-dimethoxyphenyl)benzamide
CID 152729082
2,3-dimethoxybenzaldehyde;2,5-dimethoxybenzaldehyde
CID 161122515

Frequently Asked Questions

What is the IUPAC name of 5-azido-2-methoxybenzaldehyde?
The IUPAC name of 5-azido-2-methoxybenzaldehyde (CID 54764214) is 5-azido-2-methoxybenzaldehyde.
What is the SMILES notation for 5-azido-2-methoxybenzaldehyde?
The canonical SMILES for 5-azido-2-methoxybenzaldehyde is COc1ccc(N=[N+]=[N-])cc1C=O.
What is the InChIKey of 5-azido-2-methoxybenzaldehyde?
The InChIKey is XLGCGRHNVPNMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-13-8-3-2-7(10-11-9)4-6(8)5-12/h2-5H,1H3.
What are the key properties of 5-azido-2-methoxybenzaldehyde?
5-azido-2-methoxybenzaldehyde has a molecular weight of 177.16 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-2-methoxybenzaldehyde is sourced from PubChem (CID 54764214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).