2-azido-2-(3-methoxyphenyl)acetaldehyde

C9H9N3O2 — CID 91467905

IUPAC2-azido-2-(3-methoxyphenyl)acetaldehyde
SMILESCOc1cccc(C(C=O)N=[N+]=[N-])c1
InChIInChI=1S/C9H9N3O2/c1-14-8-4-2-3-7(5-8)9(6-13)11-12-10/h2-6,9H,1H3
InChIKeyQIPOWJYYHOLORT-UHFFFAOYSA-N
MW191.19 g/mol
LogP2.25
Rot. Bonds4

About 2-azido-2-(3-methoxyphenyl)acetaldehyde

2-azido-2-(3-methoxyphenyl)acetaldehyde (PubChem CID 91467905) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-azido-2-(3-methoxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-azido-2-(3-methoxyphenyl)acetaldehyde
PubChem CID91467905
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name2-azido-2-(3-methoxyphenyl)acetaldehyde
SMILESCOc1cccc(C(C=O)N=[N+]=[N-])c1
InChIInChI=1S/C9H9N3O2/c1-14-8-4-2-3-7(5-8)9(6-13)11-12-10/h2-6,9H,1H3
InChIKeyQIPOWJYYHOLORT-UHFFFAOYSA-N
XLogP2.25
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 52.25
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

2-ethoxy-2-(3-methoxyphenyl)acetaldehyde
CID 129199810
2-(3-methoxyphenyl)-3-oxopropanenitrile
CID 10352196
1-(3-azido-3-methylbutan-2-yl)-3-methoxybenzene
CID 10775253
3-(3-methoxyphenyl)-2-methylpent-4-enal
CID 174715071
(3S)-3-(3-methoxyphenyl)pentanal
CID 118647969
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
1-(1,3-dichloropropan-2-yl)-3-methoxybenzene
CID 70178746
2-(3-methoxyphenyl)propyl formate
CID 91471144
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-(propylamino)acetamide
CID 81373150
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
2-(3-methoxyphenyl)-4-oxobutanenitrile
CID 14107117

Frequently Asked Questions

What is the IUPAC name of 2-azido-2-(3-methoxyphenyl)acetaldehyde?
The IUPAC name of 2-azido-2-(3-methoxyphenyl)acetaldehyde (CID 91467905) is 2-azido-2-(3-methoxyphenyl)acetaldehyde.
What is the SMILES notation for 2-azido-2-(3-methoxyphenyl)acetaldehyde?
The canonical SMILES for 2-azido-2-(3-methoxyphenyl)acetaldehyde is COc1cccc(C(C=O)N=[N+]=[N-])c1.
What is the InChIKey of 2-azido-2-(3-methoxyphenyl)acetaldehyde?
The InChIKey is QIPOWJYYHOLORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-14-8-4-2-3-7(5-8)9(6-13)11-12-10/h2-6,9H,1H3.
What are the key properties of 2-azido-2-(3-methoxyphenyl)acetaldehyde?
2-azido-2-(3-methoxyphenyl)acetaldehyde has a molecular weight of 191.19 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-2-(3-methoxyphenyl)acetaldehyde is sourced from PubChem (CID 91467905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).