3-(2-azidoethyl)-5-nitro-1H-indole

C10H9N5O2 — CID 123550245

IUPAC3-(2-azidoethyl)-5-nitro-1H-indole
SMILES[N-]=[N+]=NCCc1c[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C10H9N5O2/c11-14-13-4-3-7-6-12-10-2-1-8(15(16)17)5-9(7)10/h1-2,5-6,12H,3-4H2
InChIKeyIJJIKTHZONXXNS-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.93
Rot. Bonds4

About 3-(2-azidoethyl)-5-nitro-1H-indole

3-(2-azidoethyl)-5-nitro-1H-indole (PubChem CID 123550245) has the molecular formula C10H9N5O2 and a molecular weight of 231.22 g/mol. Its IUPAC name is 3-(2-azidoethyl)-5-nitro-1H-indole.

Molecular Properties

Compound Name3-(2-azidoethyl)-5-nitro-1H-indole
PubChem CID123550245
Molecular FormulaC10H9N5O2
Molecular Weight231.22 g/mol
Exact Mass231.08
IUPAC Name3-(2-azidoethyl)-5-nitro-1H-indole
SMILES[N-]=[N+]=NCCc1c[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C10H9N5O2/c11-14-13-4-3-7-6-12-10-2-1-8(15(16)17)5-9(7)10/h1-2,5-6,12H,3-4H2
InChIKeyIJJIKTHZONXXNS-UHFFFAOYSA-N
XLogP2.93
TPSA107.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine
CID 18882
1-(5-nitro-1H-indol-3-yl)propan-2-ol
CID 11218277
3-[2-[(4-azido-3-nitroanilino)diazenyl]ethyl]-1H-indol-5-ol
CID 57354047
1-(azidomethyl)-2-bromo-4-nitrobenzene
CID 60791558
3-bromo-6-nitro-1H-indole
CID 14707934
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-4-nitrobenzamide
CID 2038867
N-(1-hydroxy-2-methylpropan-2-yl)-2-(5-nitro-1H-indol-3-yl)acetamide
CID 110000935
2-(5-nitro-1H-indol-3-yl)-N-[(3-phenoxyphenyl)methyl]ethanamine
CID 21071640
3-[(5-methoxy-1H-indol-3-yl)methyl]-6-nitro-1H-indole
CID 166517333
3-[(6-nitro-1H-indol-3-yl)methyl]-1H-indole-5-carboxylic acid
CID 166517326
5-nitro-1H-indole-3-sulfinic acid
CID 165454900
2-bromo-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-nitroaniline
CID 24850653

Frequently Asked Questions

What is the IUPAC name of 3-(2-azidoethyl)-5-nitro-1H-indole?
The IUPAC name of 3-(2-azidoethyl)-5-nitro-1H-indole (CID 123550245) is 3-(2-azidoethyl)-5-nitro-1H-indole.
What is the SMILES notation for 3-(2-azidoethyl)-5-nitro-1H-indole?
The canonical SMILES for 3-(2-azidoethyl)-5-nitro-1H-indole is [N-]=[N+]=NCCc1c[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 3-(2-azidoethyl)-5-nitro-1H-indole?
The InChIKey is IJJIKTHZONXXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2/c11-14-13-4-3-7-6-12-10-2-1-8(15(16)17)5-9(7)10/h1-2,5-6,12H,3-4H2.
What are the key properties of 3-(2-azidoethyl)-5-nitro-1H-indole?
3-(2-azidoethyl)-5-nitro-1H-indole has a molecular weight of 231.22 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azidoethyl)-5-nitro-1H-indole is sourced from PubChem (CID 123550245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).