3-nitro-2-thiophen-2-yl-1H-indole

C12H8N2O2S — CID 102172712

IUPAC3-nitro-2-thiophen-2-yl-1H-indole
SMILESO=[N+]([O-])c1c(-c2cccs2)[nH]c2ccccc12
InChIInChI=1S/C12H8N2O2S/c15-14(16)12-8-4-1-2-5-9(8)13-11(12)10-6-3-7-17-10/h1-7,13H
InChIKeyDDIPJSSSSBYQOM-UHFFFAOYSA-N
MW244.28 g/mol
LogP3.80
Rot. Bonds2

About 3-nitro-2-thiophen-2-yl-1H-indole

3-nitro-2-thiophen-2-yl-1H-indole (PubChem CID 102172712) has the molecular formula C12H8N2O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is 3-nitro-2-thiophen-2-yl-1H-indole.

Molecular Properties

Compound Name3-nitro-2-thiophen-2-yl-1H-indole
PubChem CID102172712
Molecular FormulaC12H8N2O2S
Molecular Weight244.28 g/mol
Exact Mass244.03
IUPAC Name3-nitro-2-thiophen-2-yl-1H-indole
SMILESO=[N+]([O-])c1c(-c2cccs2)[nH]c2ccccc12
InChIInChI=1S/C12H8N2O2S/c15-14(16)12-8-4-1-2-5-9(8)13-11(12)10-6-3-7-17-10/h1-7,13H
InChIKeyDDIPJSSSSBYQOM-UHFFFAOYSA-N
XLogP3.80
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 53.80
H-Bond Donors ≤ 51
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

3-benzyl-2-thiophen-2-yl-1H-indole
CID 11087509
2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetic acid
CID 674281
3-[(E)-but-1-enyl]-2-thiophen-2-yl-1H-indole
CID 102241289
2-methyl-1-thiophen-2-yl-9H-carbazole-3,4-dione
CID 11779161
2-(4-nitrophenyl)thiophene
CID 609512
3,4-dinitro-5-thiophen-2-ylthiophene-2-carbaldehyde
CID 54547421
tert-butyl 2-(3-nitro-1H-indol-2-yl)pyrrole-1-carboxylate
CID 46210827
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
(3-nitro-2-oxo-1H-quinolin-4-yl) bromate
CID 141419384
3-(3-nitro-1-benzothiophen-2-yl)-9H-carbazole
CID 142727141
N-benzyl-3-nitro-1H-indole-2-carboxamide
CID 10827690
9H-carbazole;thiophene-2-carbaldehyde
CID 174706827

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-thiophen-2-yl-1H-indole?
The IUPAC name of 3-nitro-2-thiophen-2-yl-1H-indole (CID 102172712) is 3-nitro-2-thiophen-2-yl-1H-indole.
What is the SMILES notation for 3-nitro-2-thiophen-2-yl-1H-indole?
The canonical SMILES for 3-nitro-2-thiophen-2-yl-1H-indole is O=[N+]([O-])c1c(-c2cccs2)[nH]c2ccccc12.
What is the InChIKey of 3-nitro-2-thiophen-2-yl-1H-indole?
The InChIKey is DDIPJSSSSBYQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S/c15-14(16)12-8-4-1-2-5-9(8)13-11(12)10-6-3-7-17-10/h1-7,13H.
What are the key properties of 3-nitro-2-thiophen-2-yl-1H-indole?
3-nitro-2-thiophen-2-yl-1H-indole has a molecular weight of 244.28 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-thiophen-2-yl-1H-indole is sourced from PubChem (CID 102172712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).