2-(azidomethyl)-6-methoxy-1-benzofuran-7-carbaldehyde

C11H9N3O3 — CID 162721526

IUPAC2-(azidomethyl)-6-methoxy-1-benzofuran-7-carbaldehyde
SMILESCOc1ccc2cc(CN=[N+]=[N-])oc2c1C=O
InChIInChI=1S/C11H9N3O3/c1-16-10-3-2-7-4-8(5-13-14-12)17-11(7)9(10)6-15/h2-4,6H,5H2,1H3
InChIKeyFUGPAOCUHXZATP-UHFFFAOYSA-N
MW231.21 g/mol
LogP3.06
Rot. Bonds4

About 2-(azidomethyl)-6-methoxy-1-benzofuran-7-carbaldehyde

2-(azidomethyl)-6-methoxy-1-benzofuran-7-carbaldehyde (PubChem CID 162721526) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 2-(azidomethyl)-6-methoxy-1-benzofuran-7-carbaldehyde.

Molecular Properties

Compound Name2-(azidomethyl)-6-methoxy-1-benzofuran-7-carbaldehyde
PubChem CID162721526
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name2-(azidomethyl)-6-methoxy-1-benzofuran-7-carbaldehyde
SMILESCOc1ccc2cc(CN=[N+]=[N-])oc2c1C=O
InChIInChI=1S/C11H9N3O3/c1-16-10-3-2-7-4-8(5-13-14-12)17-11(7)9(10)6-15/h2-4,6H,5H2,1H3
InChIKeyFUGPAOCUHXZATP-UHFFFAOYSA-N
XLogP3.06
TPSA88.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

6-methoxy-2-(prop-2-ynoxymethyl)-1-benzofuran-7-carbaldehyde
CID 169082967
5-(azidomethyl)furan-2-carbaldehyde
CID 52915712
4-(azidomethyl)-2-methoxybenzenesulfonamide
CID 59667698
4-(3-azidopropoxy)-3-methoxybenzaldehyde
CID 54769990
2-(azidomethyl)-6-methoxy-7-phenylmethoxychromen-4-one
CID 126484713
2-(4-azidobut-1-enyl)-3-hydroxy-4-methoxybenzaldehyde
CID 170485837
1-(4-azidobut-1-enyl)-2-methoxynaphthalene
CID 170486044
2-(2,2-dimethylpropyl)-7-methoxy-1-benzofuran
CID 19075968
1-(azidomethyl)-2-methoxybenzene
CID 11263685
2,6-dimethoxynaphthalene-1-carbaldehyde
CID 12583354
1-(azidomethyl)-2,4-dimethoxybenzene
CID 14217595
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-6-methoxy-1-benzofuran-7-carbaldehyde?
The IUPAC name of 2-(azidomethyl)-6-methoxy-1-benzofuran-7-carbaldehyde (CID 162721526) is 2-(azidomethyl)-6-methoxy-1-benzofuran-7-carbaldehyde.
What is the SMILES notation for 2-(azidomethyl)-6-methoxy-1-benzofuran-7-carbaldehyde?
The canonical SMILES for 2-(azidomethyl)-6-methoxy-1-benzofuran-7-carbaldehyde is COc1ccc2cc(CN=[N+]=[N-])oc2c1C=O.
What is the InChIKey of 2-(azidomethyl)-6-methoxy-1-benzofuran-7-carbaldehyde?
The InChIKey is FUGPAOCUHXZATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c1-16-10-3-2-7-4-8(5-13-14-12)17-11(7)9(10)6-15/h2-4,6H,5H2,1H3.
What are the key properties of 2-(azidomethyl)-6-methoxy-1-benzofuran-7-carbaldehyde?
2-(azidomethyl)-6-methoxy-1-benzofuran-7-carbaldehyde has a molecular weight of 231.21 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-6-methoxy-1-benzofuran-7-carbaldehyde is sourced from PubChem (CID 162721526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).