4-azido-1-nitro-2-propoxybenzene

C9H10N4O3 — CID 80583524

IUPAC4-azido-1-nitro-2-propoxybenzene
SMILESCCCOc1cc(N=[N+]=[N-])ccc1[N+](=O)[O-]
InChIInChI=1S/C9H10N4O3/c1-2-5-16-9-6-7(11-12-10)3-4-8(9)13(14)15/h3-4,6H,2,5H2,1H3
InChIKeyCTLQKCMSYLRPOP-UHFFFAOYSA-N
MW222.20 g/mol
LogP3.33
Rot. Bonds5

About 4-azido-1-nitro-2-propoxybenzene

4-azido-1-nitro-2-propoxybenzene (PubChem CID 80583524) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 4-azido-1-nitro-2-propoxybenzene.

Molecular Properties

Compound Name4-azido-1-nitro-2-propoxybenzene
PubChem CID80583524
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name4-azido-1-nitro-2-propoxybenzene
SMILESCCCOc1cc(N=[N+]=[N-])ccc1[N+](=O)[O-]
InChIInChI=1S/C9H10N4O3/c1-2-5-16-9-6-7(11-12-10)3-4-8(9)13(14)15/h3-4,6H,2,5H2,1H3
InChIKeyCTLQKCMSYLRPOP-UHFFFAOYSA-N
XLogP3.33
TPSA101.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 53.33
H-Bond Donors ≤ 50
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-azido-1-nitro-2-propoxybenzene 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

4-azido-2-methyl-1-nitrobenzene
CID 80583441
4-azido-1-butyl-2-nitrobenzene
CID 123790313
4-(bromomethyl)-1-nitro-2-propoxybenzene
CID 62114866
4-azido-2-fluoro-1-nitrobenzene
CID 15088119
N-[2-(4-nitro-3-propoxyphenoxy)ethyl]propan-1-amine
CID 63677945
1-methyl-4-(4-nitro-3-propoxyphenyl)pyridin-1-ium
CID 138620313
2-ethyl-2-N-(4-nitro-3-propoxyphenyl)butane-1,2-diamine
CID 63887824
4-nitro-N-pentyl-3-propoxyaniline
CID 63669901
2-(4-nitro-3-propoxyphenyl)pentan-3-ol
CID 55233757
4-(4-nitro-3-propoxyphenoxy)piperidine
CID 63678351
N-(1-methylcyclopropyl)-4-nitro-3-propoxyaniline
CID 113485591
4-nitro-3-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)aniline
CID 79360119

Frequently Asked Questions

What is the IUPAC name of 4-azido-1-nitro-2-propoxybenzene?
The IUPAC name of 4-azido-1-nitro-2-propoxybenzene (CID 80583524) is 4-azido-1-nitro-2-propoxybenzene.
What is the SMILES notation for 4-azido-1-nitro-2-propoxybenzene?
The canonical SMILES for 4-azido-1-nitro-2-propoxybenzene is CCCOc1cc(N=[N+]=[N-])ccc1[N+](=O)[O-].
What is the InChIKey of 4-azido-1-nitro-2-propoxybenzene?
The InChIKey is CTLQKCMSYLRPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-2-5-16-9-6-7(11-12-10)3-4-8(9)13(14)15/h3-4,6H,2,5H2,1H3.
What are the key properties of 4-azido-1-nitro-2-propoxybenzene?
4-azido-1-nitro-2-propoxybenzene has a molecular weight of 222.20 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-nitro-2-propoxybenzene is sourced from PubChem (CID 80583524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).