2-(6-nitro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile

C13H8N4O2S — CID 82055161

IUPAC2-(6-nitro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile
SMILESN#CCc1c(-c2cccs2)nc2ccc([N+](=O)[O-])cn12
InChIInChI=1S/C13H8N4O2S/c14-6-5-10-13(11-2-1-7-20-11)15-12-4-3-9(17(18)19)8-16(10)12/h1-4,7-8H,5H2
InChIKeyJYMVVUNHAZNJCV-UHFFFAOYSA-N
MW284.30 g/mol
LogP3.04
Rot. Bonds3

About 2-(6-nitro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile

2-(6-nitro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile (PubChem CID 82055161) has the molecular formula C13H8N4O2S and a molecular weight of 284.30 g/mol. Its IUPAC name is 2-(6-nitro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(6-nitro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile
PubChem CID82055161
Molecular FormulaC13H8N4O2S
Molecular Weight284.30 g/mol
Exact Mass284.04
IUPAC Name2-(6-nitro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile
SMILESN#CCc1c(-c2cccs2)nc2ccc([N+](=O)[O-])cn12
InChIInChI=1S/C13H8N4O2S/c14-6-5-10-13(11-2-1-7-20-11)15-12-4-3-9(17(18)19)8-16(10)12/h1-4,7-8H,5H2
InChIKeyJYMVVUNHAZNJCV-UHFFFAOYSA-N
XLogP3.04
TPSA84.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[2-(3-methoxyphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 93203563
2-[(6-amino-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methyl-methylamino]ethanol
CID 82058463
[2-(4-bromophenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride
CID 67123064
1-[(6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate
CID 40638712
2-(4-nitrophenyl)thiophene
CID 609512
6-(4-nitrophenyl)-7-thiophen-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 44721571
2-[2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82060793
3-benzyl-2-thiophen-2-ylimidazo[1,2-a]pyridine
CID 56933914
2-nitro-3-thiophen-2-ylimidazo[1,2-a]pyridine
CID 102365056
5-[(4-nitrophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine
CID 137301649
2-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82030121
2-methyl-6-nitroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 12872601

Frequently Asked Questions

What is the IUPAC name of 2-(6-nitro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile?
The IUPAC name of 2-(6-nitro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile (CID 82055161) is 2-(6-nitro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile.
What is the SMILES notation for 2-(6-nitro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile?
The canonical SMILES for 2-(6-nitro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile is N#CCc1c(-c2cccs2)nc2ccc([N+](=O)[O-])cn12.
What is the InChIKey of 2-(6-nitro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile?
The InChIKey is JYMVVUNHAZNJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O2S/c14-6-5-10-13(11-2-1-7-20-11)15-12-4-3-9(17(18)19)8-16(10)12/h1-4,7-8H,5H2.
What are the key properties of 2-(6-nitro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile?
2-(6-nitro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile has a molecular weight of 284.30 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-nitro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile is sourced from PubChem (CID 82055161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).