[2-(azidomethyl)-2,3-dihydro-1-benzofuran-7-yl]boronic acid

C9H10BN3O3 — CID 86236191

IUPAC[2-(azidomethyl)-2,3-dihydro-1-benzofuran-7-yl]boronic acid
SMILES[N-]=[N+]=NCC1Cc2cccc(B(O)O)c2O1
InChIInChI=1S/C9H10BN3O3/c11-13-12-5-7-4-6-2-1-3-8(10(14)15)9(6)16-7/h1-3,7,14-15H,4-5H2
InChIKeyPZQQEYRDNOIDEB-UHFFFAOYSA-N
MW219.01 g/mol
LogP-0.02
Rot. Bonds3

About [2-(azidomethyl)-2,3-dihydro-1-benzofuran-7-yl]boronic acid

[2-(azidomethyl)-2,3-dihydro-1-benzofuran-7-yl]boronic acid (PubChem CID 86236191) has the molecular formula C9H10BN3O3 and a molecular weight of 219.01 g/mol. Its IUPAC name is [2-(azidomethyl)-2,3-dihydro-1-benzofuran-7-yl]boronic acid.

Molecular Properties

Compound Name[2-(azidomethyl)-2,3-dihydro-1-benzofuran-7-yl]boronic acid
PubChem CID86236191
Molecular FormulaC9H10BN3O3
Molecular Weight219.01 g/mol
Exact Mass219.08
IUPAC Name[2-(azidomethyl)-2,3-dihydro-1-benzofuran-7-yl]boronic acid
SMILES[N-]=[N+]=NCC1Cc2cccc(B(O)O)c2O1
InChIInChI=1S/C9H10BN3O3/c11-13-12-5-7-4-6-2-1-3-8(10(14)15)9(6)16-7/h1-3,7,14-15H,4-5H2
InChIKeyPZQQEYRDNOIDEB-UHFFFAOYSA-N
XLogP-0.02
TPSA98.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.01
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(azidomethyl)-2,3-dihydro-1-benzofuran-7-yl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(azidomethyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 86599211
2-(azidomethyl)-7-methoxy-2,3-dihydro-1-benzofuran
CID 86599172
2-(azidomethyl)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran
CID 86599204
2-(azidomethyl)-7-(3-methoxyphenyl)-2,3-dihydro-1-benzofuran
CID 86599209
2-(azidomethyl)-7-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran
CID 86599214
2-(azidomethyl)-5-ethyl-7-phenyl-2,3-dihydro-1-benzofuran
CID 86599266
2-(azidomethyl)-3,6-dihydro-2H-furo[2,3-f]quinolin-7-one
CID 23369847
2-(azidomethyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 66362547
(2R)-2-(azidomethyl)-8-(2-chlorophenyl)-3,4-dihydro-2H-chromene
CID 86609101
2-(azidomethyl)-7-(5-chloro-2-methylphenyl)-5-fluoro-2,3-dihydro-1-benzofuran
CID 86604656
(2R)-2-(azidomethyl)-9-(2,6-dichlorophenyl)-2,3,4,5-tetrahydro-1-benzoxepine
CID 86609129
2-(azidomethyl)-2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran
CID 90748480

Frequently Asked Questions

What is the IUPAC name of [2-(azidomethyl)-2,3-dihydro-1-benzofuran-7-yl]boronic acid?
The IUPAC name of [2-(azidomethyl)-2,3-dihydro-1-benzofuran-7-yl]boronic acid (CID 86236191) is [2-(azidomethyl)-2,3-dihydro-1-benzofuran-7-yl]boronic acid.
What is the SMILES notation for [2-(azidomethyl)-2,3-dihydro-1-benzofuran-7-yl]boronic acid?
The canonical SMILES for [2-(azidomethyl)-2,3-dihydro-1-benzofuran-7-yl]boronic acid is [N-]=[N+]=NCC1Cc2cccc(B(O)O)c2O1.
What is the InChIKey of [2-(azidomethyl)-2,3-dihydro-1-benzofuran-7-yl]boronic acid?
The InChIKey is PZQQEYRDNOIDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BN3O3/c11-13-12-5-7-4-6-2-1-3-8(10(14)15)9(6)16-7/h1-3,7,14-15H,4-5H2.
What are the key properties of [2-(azidomethyl)-2,3-dihydro-1-benzofuran-7-yl]boronic acid?
[2-(azidomethyl)-2,3-dihydro-1-benzofuran-7-yl]boronic acid has a molecular weight of 219.01 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azidomethyl)-2,3-dihydro-1-benzofuran-7-yl]boronic acid is sourced from PubChem (CID 86236191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).