2-(3-nitro-1H-indol-7-yl)acetic acid

C10H8N2O4 — CID 83889215

IUPAC2-(3-nitro-1H-indol-7-yl)acetic acid
SMILESO=C(O)Cc1cccc2c([N+](=O)[O-])c[nH]c12
InChIInChI=1S/C10H8N2O4/c13-9(14)4-6-2-1-3-7-8(12(15)16)5-11-10(6)7/h1-3,5,11H,4H2,(H,13,14)
InChIKeyXYBWYBJQOWZDNW-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.70
Rot. Bonds3

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

2-(3-nitro-1H-indol-7-yl)acetic acid (PubChem CID 83889215) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 2-(3-nitro-1H-indol-7-yl)acetic acid.

Molecular Properties

Compound Name2-(3-nitro-1H-indol-7-yl)acetic acid
PubChem CID83889215
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name2-(3-nitro-1H-indol-7-yl)acetic acid
SMILESO=C(O)Cc1cccc2c([N+](=O)[O-])c[nH]c12
InChIInChI=1S/C10H8N2O4/c13-9(14)4-6-2-1-3-7-8(12(15)16)5-11-10(6)7/h1-3,5,11H,4H2,(H,13,14)
InChIKeyXYBWYBJQOWZDNW-UHFFFAOYSA-N
XLogP1.70
TPSA96.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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)acetaldehyde
CID 83881757
2-(3-nitro-1H-indol-7-yl)ethanamine
CID 83882305
2-(8-ethyl-4-oxo-1H-quinolin-3-yl)acetic acid
CID 84694419
(7-nitro-1H-indol-3-yl)methanamine
CID 76844656
7-nitro-1H-indole-3-carboxamide
CID 57287877
2-(2-amino-6-nitrophenyl)acetic acid
CID 118992480
methyl 7-nitro-1H-indole-3-carboxylate
CID 11413351
3-(3-methyl-1H-indol-7-yl)propanoic acid
CID 66917746
1-(3-methyl-1H-indol-7-yl)propan-2-one
CID 117205247
2,3-dimethyl-4-(7-nitro-1H-indol-3-yl)-4-oxobutanoic acid
CID 103500138
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
1-(7-ethyl-1H-indol-3-yl)-2-(3-nitrophenoxy)ethanone
CID 7865159

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitro-1H-indol-7-yl)acetic acid?
The IUPAC name of 2-(3-nitro-1H-indol-7-yl)acetic acid (CID 83889215) is 2-(3-nitro-1H-indol-7-yl)acetic acid.
What is the SMILES notation for 2-(3-nitro-1H-indol-7-yl)acetic acid?
The canonical SMILES for 2-(3-nitro-1H-indol-7-yl)acetic acid is O=C(O)Cc1cccc2c([N+](=O)[O-])c[nH]c12.
What is the InChIKey of 2-(3-nitro-1H-indol-7-yl)acetic acid?
The InChIKey is XYBWYBJQOWZDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c13-9(14)4-6-2-1-3-7-8(12(15)16)5-11-10(6)7/h1-3,5,11H,4H2,(H,13,14).
What are the key properties of 2-(3-nitro-1H-indol-7-yl)acetic acid?
2-(3-nitro-1H-indol-7-yl)acetic acid has a molecular weight of 220.18 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitro-1H-indol-7-yl)acetic acid is sourced from PubChem (CID 83889215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).