2-azido-5-chloro-4-methoxybenzaldehyde

C8H6ClN3O2 — CID 129103842

IUPAC2-azido-5-chloro-4-methoxybenzaldehyde
SMILESCOc1cc(N=[N+]=[N-])c(C=O)cc1Cl
InChIInChI=1S/C8H6ClN3O2/c1-14-8-3-7(11-12-10)5(4-13)2-6(8)9/h2-4H,1H3
InChIKeyNDHDAXZHZSTEDL-UHFFFAOYSA-N
MW211.61 g/mol
LogP3.10
Rot. Bonds3

About 2-azido-5-chloro-4-methoxybenzaldehyde

2-azido-5-chloro-4-methoxybenzaldehyde (PubChem CID 129103842) has the molecular formula C8H6ClN3O2 and a molecular weight of 211.61 g/mol. Its IUPAC name is 2-azido-5-chloro-4-methoxybenzaldehyde.

Molecular Properties

Compound Name2-azido-5-chloro-4-methoxybenzaldehyde
PubChem CID129103842
Molecular FormulaC8H6ClN3O2
Molecular Weight211.61 g/mol
Exact Mass211.01
IUPAC Name2-azido-5-chloro-4-methoxybenzaldehyde
SMILESCOc1cc(N=[N+]=[N-])c(C=O)cc1Cl
InChIInChI=1S/C8H6ClN3O2/c1-14-8-3-7(11-12-10)5(4-13)2-6(8)9/h2-4H,1H3
InChIKeyNDHDAXZHZSTEDL-UHFFFAOYSA-N
XLogP3.10
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 53.10
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'}

Analyze 2-azido-5-chloro-4-methoxybenzaldehyde 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

1-azido-2-bromo-4-chloro-5-methoxybenzene
CID 150038194
5-azido-2-methoxybenzaldehyde
CID 54764214
4-chloro-5-methoxy-2-methylbenzaldehyde
CID 84769512
1-azido-2-methoxy-4-methylbenzene
CID 152671087
2-acetyl-4-chloro-5-methoxybenzaldehyde
CID 171002422
1-azido-2,3-difluoro-5-methoxy-4-methylbenzene
CID 169326636
(4-chloro-2-formyl-5-methoxyphenyl) trifluoromethanesulfonate
CID 118310853
N-(5-chloro-2-formyl-4-methoxyphenyl)acetamide
CID 84791687
5-chloro-2-methoxy-4-propan-2-ylbenzaldehyde
CID 59598753
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
4-[(Z)-2-azidoprop-1-enyl]-2-chloro-1-methoxybenzene
CID 140937046
2-(3-azido-1,2-dihydroxypropyl)-4,5-dimethoxybenzaldehyde
CID 170826906

Frequently Asked Questions

What is the IUPAC name of 2-azido-5-chloro-4-methoxybenzaldehyde?
The IUPAC name of 2-azido-5-chloro-4-methoxybenzaldehyde (CID 129103842) is 2-azido-5-chloro-4-methoxybenzaldehyde.
What is the SMILES notation for 2-azido-5-chloro-4-methoxybenzaldehyde?
The canonical SMILES for 2-azido-5-chloro-4-methoxybenzaldehyde is COc1cc(N=[N+]=[N-])c(C=O)cc1Cl.
What is the InChIKey of 2-azido-5-chloro-4-methoxybenzaldehyde?
The InChIKey is NDHDAXZHZSTEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2/c1-14-8-3-7(11-12-10)5(4-13)2-6(8)9/h2-4H,1H3.
What are the key properties of 2-azido-5-chloro-4-methoxybenzaldehyde?
2-azido-5-chloro-4-methoxybenzaldehyde has a molecular weight of 211.61 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-5-chloro-4-methoxybenzaldehyde is sourced from PubChem (CID 129103842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).