1-(azidomethyl)-2-methoxybenzene

C8H9N3O — CID 11263685

IUPAC1-(azidomethyl)-2-methoxybenzene
SMILESCOc1ccccc1CN=[N+]=[N-]
InChIInChI=1S/C8H9N3O/c1-12-8-5-3-2-4-7(8)6-10-11-9/h2-5H,6H2,1H3
InChIKeyMQRIYFPVICULQP-UHFFFAOYSA-N
MW163.18 g/mol
LogP2.51
Rot. Bonds3

About 1-(azidomethyl)-2-methoxybenzene

1-(azidomethyl)-2-methoxybenzene (PubChem CID 11263685) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-(azidomethyl)-2-methoxybenzene.

Molecular Properties

Compound Name1-(azidomethyl)-2-methoxybenzene
PubChem CID11263685
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name1-(azidomethyl)-2-methoxybenzene
SMILESCOc1ccccc1CN=[N+]=[N-]
InChIInChI=1S/C8H9N3O/c1-12-8-5-3-2-4-7(8)6-10-11-9/h2-5H,6H2,1H3
InChIKeyMQRIYFPVICULQP-UHFFFAOYSA-N
XLogP2.51
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-(azidomethyl)-2,4-dimethoxybenzene
CID 14217595
[2-(azidomethyl)phenyl] 2-methylpropanoate
CID 174537569
1-(2-azidoethyl)-2,3-dimethoxybenzene
CID 150478771
1-[(3-azido-1-phenylpropoxy)methyl]-2-methoxybenzene
CID 57033234
1,3-bis(azidomethyl)-2-methoxy-5-methylbenzene
CID 58764698
(1R)-2-azido-1-(2,6-dimethoxyphenyl)ethanol
CID 165492310
2-[2-(azidomethyl)phenyl]acetaldehyde
CID 91527189
1-(2-azidoethyl)-2-ethoxybenzene
CID 150018068
2-[2-(azidomethyl)-6-chloro-4-(2-methoxyphenyl)phenyl]-1,3-dioxole
CID 90950888
(2-(111C)methoxyphenyl)methanol
CID 59897789
1-(isothiocyanatomethyl)-2-methoxybenzene;methane;(2-methoxyphenyl)methanamine
CID 158339606
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553

Frequently Asked Questions

What is the IUPAC name of 1-(azidomethyl)-2-methoxybenzene?
The IUPAC name of 1-(azidomethyl)-2-methoxybenzene (CID 11263685) is 1-(azidomethyl)-2-methoxybenzene.
What is the SMILES notation for 1-(azidomethyl)-2-methoxybenzene?
The canonical SMILES for 1-(azidomethyl)-2-methoxybenzene is COc1ccccc1CN=[N+]=[N-].
What is the InChIKey of 1-(azidomethyl)-2-methoxybenzene?
The InChIKey is MQRIYFPVICULQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-12-8-5-3-2-4-7(8)6-10-11-9/h2-5H,6H2,1H3.
What are the key properties of 1-(azidomethyl)-2-methoxybenzene?
1-(azidomethyl)-2-methoxybenzene has a molecular weight of 163.18 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azidomethyl)-2-methoxybenzene is sourced from PubChem (CID 11263685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).