3-nitro-2-thiophen-2-ylpyridine

C9H6N2O2S — CID 71249233

IUPAC3-nitro-2-thiophen-2-ylpyridine
SMILESO=[N+]([O-])c1cccnc1-c1cccs1
InChIInChI=1S/C9H6N2O2S/c12-11(13)7-3-1-5-10-9(7)8-4-2-6-14-8/h1-6H
InChIKeyUXJCPBVVXGSLKN-UHFFFAOYSA-N
MW206.23 g/mol
LogP2.72
Rot. Bonds2

About 3-nitro-2-thiophen-2-ylpyridine

3-nitro-2-thiophen-2-ylpyridine (PubChem CID 71249233) has the molecular formula C9H6N2O2S and a molecular weight of 206.23 g/mol. Its IUPAC name is 3-nitro-2-thiophen-2-ylpyridine.

Molecular Properties

Compound Name3-nitro-2-thiophen-2-ylpyridine
PubChem CID71249233
Molecular FormulaC9H6N2O2S
Molecular Weight206.23 g/mol
Exact Mass206.01
IUPAC Name3-nitro-2-thiophen-2-ylpyridine
SMILESO=[N+]([O-])c1cccnc1-c1cccs1
InChIInChI=1S/C9H6N2O2S/c12-11(13)7-3-1-5-10-9(7)8-4-2-6-14-8/h1-6H
InChIKeyUXJCPBVVXGSLKN-UHFFFAOYSA-N
XLogP2.72
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 52.72
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

5-(2-amino-4-pyridinyl)-3-nitro-6-thiophen-2-ylpyridin-2-amine
CID 68897045
3-nitro-2-[12-(3-nitro-2-pyridinyl)chrysen-6-yl]pyridine
CID 89115193
3-nitro-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 43397780
3-nitro-2-[2-[2-(3-nitro-2-pyridinyl)phenoxy]phenyl]pyridine
CID 175178315
2-(3-nitro-2-pyridinyl)-3-pyridin-2-ylpyridine
CID 162355373
8-nitro-2-thiophen-2-yl-3-(trifluoromethyl)quinoline
CID 174426293
N-methyl-3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 9113799
N-methyl-3-nitropyridin-2-amine
CID 556349
2,3-dinitropyridine;hydrazine
CID 175406944
2-(3-nitro-4-thiophen-2-ylphenyl)thiophene
CID 22765600
5-(2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66197989
2,3-dithiophen-2-ylpyrido[2,3-b]pyrazine
CID 4638749

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-thiophen-2-ylpyridine?
The IUPAC name of 3-nitro-2-thiophen-2-ylpyridine (CID 71249233) is 3-nitro-2-thiophen-2-ylpyridine.
What is the SMILES notation for 3-nitro-2-thiophen-2-ylpyridine?
The canonical SMILES for 3-nitro-2-thiophen-2-ylpyridine is O=[N+]([O-])c1cccnc1-c1cccs1.
What is the InChIKey of 3-nitro-2-thiophen-2-ylpyridine?
The InChIKey is UXJCPBVVXGSLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2S/c12-11(13)7-3-1-5-10-9(7)8-4-2-6-14-8/h1-6H.
What are the key properties of 3-nitro-2-thiophen-2-ylpyridine?
3-nitro-2-thiophen-2-ylpyridine has a molecular weight of 206.23 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-thiophen-2-ylpyridine is sourced from PubChem (CID 71249233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).