2-(1-benzothiophen-2-yl)-5-nitropyridine

C13H8N2O2S — CID 142834832

IUPAC2-(1-benzothiophen-2-yl)-5-nitropyridine
SMILESO=[N+]([O-])c1ccc(-c2cc3ccccc3s2)nc1
InChIInChI=1S/C13H8N2O2S/c16-15(17)10-5-6-11(14-8-10)13-7-9-3-1-2-4-12(9)18-13/h1-8H
InChIKeyJZBCRKVAOSXQHY-UHFFFAOYSA-N
MW256.29 g/mol
LogP3.87
Rot. Bonds2

About 2-(1-benzothiophen-2-yl)-5-nitropyridine

2-(1-benzothiophen-2-yl)-5-nitropyridine (PubChem CID 142834832) has the molecular formula C13H8N2O2S and a molecular weight of 256.29 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-5-nitropyridine.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-5-nitropyridine
PubChem CID142834832
Molecular FormulaC13H8N2O2S
Molecular Weight256.29 g/mol
Exact Mass256.03
IUPAC Name2-(1-benzothiophen-2-yl)-5-nitropyridine
SMILESO=[N+]([O-])c1ccc(-c2cc3ccccc3s2)nc1
InChIInChI=1S/C13H8N2O2S/c16-15(17)10-5-6-11(14-8-10)13-7-9-3-1-2-4-12(9)18-13/h1-8H
InChIKeyJZBCRKVAOSXQHY-UHFFFAOYSA-N
XLogP3.87
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

6-(1-benzothiophen-2-yl)pyridine-3-carbaldehyde
CID 147960964
2-(1-benzothiophen-2-yl)-5-[2-[3,5-bis[2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 134191374
tris(2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine);iridium
CID 173112799
2-(2-nitrophenyl)-1-benzothiophene
CID 14912770
2-(1-benzothiophen-2-yl)pyridine;methanol
CID 143810360
methyl 5-(5-nitro-2-pyridinyl)thiophene-2-carboxylate
CID 58657120
13-nitro-17-thia-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 10858874
2-(1-benzothiophen-2-yl)benzo[g]quinoline
CID 102420322
2-[2-(5-nitro-2-pyridinyl)phenyl]isoindole-1,3-dione
CID 132602346
2-(1-benzothiophen-2-yl)pyrrolo[3,2-b]pyrrole-5,6-dione
CID 141406311
5-[6-(1-benzothiophen-2-yl)-3-pyridinyl]-1-azabicyclo[3.3.1]nonane
CID 67493847
5-bromo-2-(4-nitrophenyl)-1-benzothiophene
CID 19261617

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-5-nitropyridine?
The IUPAC name of 2-(1-benzothiophen-2-yl)-5-nitropyridine (CID 142834832) is 2-(1-benzothiophen-2-yl)-5-nitropyridine.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-5-nitropyridine?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-5-nitropyridine is O=[N+]([O-])c1ccc(-c2cc3ccccc3s2)nc1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-5-nitropyridine?
The InChIKey is JZBCRKVAOSXQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2S/c16-15(17)10-5-6-11(14-8-10)13-7-9-3-1-2-4-12(9)18-13/h1-8H.
What are the key properties of 2-(1-benzothiophen-2-yl)-5-nitropyridine?
2-(1-benzothiophen-2-yl)-5-nitropyridine has a molecular weight of 256.29 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-5-nitropyridine is sourced from PubChem (CID 142834832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).