2-(3-nitro-1H-indol-7-yl)acetaldehyde

C10H8N2O3 — CID 83881757

IUPAC2-(3-nitro-1H-indol-7-yl)acetaldehyde
SMILESO=CCc1cccc2c([N+](=O)[O-])c[nH]c12
InChIInChI=1S/C10H8N2O3/c13-5-4-7-2-1-3-8-9(12(14)15)6-11-10(7)8/h1-3,5-6,11H,4H2
InChIKeyDADNYGRZHWUVDO-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.82
Rot. Bonds3

About 2-(3-nitro-1H-indol-7-yl)acetaldehyde

2-(3-nitro-1H-indol-7-yl)acetaldehyde (PubChem CID 83881757) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-(3-nitro-1H-indol-7-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-nitro-1H-indol-7-yl)acetaldehyde
PubChem CID83881757
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name2-(3-nitro-1H-indol-7-yl)acetaldehyde
SMILESO=CCc1cccc2c([N+](=O)[O-])c[nH]c12
InChIInChI=1S/C10H8N2O3/c13-5-4-7-2-1-3-8-9(12(14)15)6-11-10(7)8/h1-3,5-6,11H,4H2
InChIKeyDADNYGRZHWUVDO-UHFFFAOYSA-N
XLogP1.82
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

2-(3-nitro-1H-indol-7-yl)acetic acid
CID 83889215
2-(3-nitro-1H-indol-7-yl)ethanamine
CID 83882305
2-(1-methyl-3-nitroindol-7-yl)acetaldehyde
CID 83887938
(7-nitro-1H-indol-3-yl)methanamine
CID 76844656
2-(3-hydroxy-2-nitrophenyl)acetaldehyde
CID 169410100
(7-nitro-1H-indol-3-yl) formate
CID 174450911
1,5,9-trinitrotriphenylene
CID 86227277
2-(5-nitroisoquinolin-4-yl)acetaldehyde
CID 58780825
7-nitro-1H-indole-3-carboxamide
CID 57287877
(1S)-1-(7-nitro-1H-indol-3-yl)propan-1-amine
CID 104985014
3-nitro-1H-indole-6-carbaldehyde
CID 83877343
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate
CID 7794569

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitro-1H-indol-7-yl)acetaldehyde?
The IUPAC name of 2-(3-nitro-1H-indol-7-yl)acetaldehyde (CID 83881757) is 2-(3-nitro-1H-indol-7-yl)acetaldehyde.
What is the SMILES notation for 2-(3-nitro-1H-indol-7-yl)acetaldehyde?
The canonical SMILES for 2-(3-nitro-1H-indol-7-yl)acetaldehyde is O=CCc1cccc2c([N+](=O)[O-])c[nH]c12.
What is the InChIKey of 2-(3-nitro-1H-indol-7-yl)acetaldehyde?
The InChIKey is DADNYGRZHWUVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-5-4-7-2-1-3-8-9(12(14)15)6-11-10(7)8/h1-3,5-6,11H,4H2.
What are the key properties of 2-(3-nitro-1H-indol-7-yl)acetaldehyde?
2-(3-nitro-1H-indol-7-yl)acetaldehyde has a molecular weight of 204.19 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitro-1H-indol-7-yl)acetaldehyde is sourced from PubChem (CID 83881757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).