4-imidazo[1,5-a]pyridin-3-ylsulfanyl-3-nitrobenzonitrile

C14H8N4O2S — CID 27816725

IUPAC4-imidazo[1,5-a]pyridin-3-ylsulfanyl-3-nitrobenzonitrile
SMILESN#Cc1ccc(Sc2ncc3ccccn23)c([N+](=O)[O-])c1
InChIInChI=1S/C14H8N4O2S/c15-8-10-4-5-13(12(7-10)18(19)20)21-14-16-9-11-3-1-2-6-17(11)14/h1-7,9H
InChIKeyUQOXBXINJLGGLU-UHFFFAOYSA-N
MW296.31 g/mol
LogP3.27
Rot. Bonds3

About 4-imidazo[1,5-a]pyridin-3-ylsulfanyl-3-nitrobenzonitrile

4-imidazo[1,5-a]pyridin-3-ylsulfanyl-3-nitrobenzonitrile (PubChem CID 27816725) has the molecular formula C14H8N4O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is 4-imidazo[1,5-a]pyridin-3-ylsulfanyl-3-nitrobenzonitrile.

Molecular Properties

Compound Name4-imidazo[1,5-a]pyridin-3-ylsulfanyl-3-nitrobenzonitrile
PubChem CID27816725
Molecular FormulaC14H8N4O2S
Molecular Weight296.31 g/mol
Exact Mass296.04
IUPAC Name4-imidazo[1,5-a]pyridin-3-ylsulfanyl-3-nitrobenzonitrile
SMILESN#Cc1ccc(Sc2ncc3ccccn23)c([N+](=O)[O-])c1
InChIInChI=1S/C14H8N4O2S/c15-8-10-4-5-13(12(7-10)18(19)20)21-14-16-9-11-3-1-2-6-17(11)14/h1-7,9H
InChIKeyUQOXBXINJLGGLU-UHFFFAOYSA-N
XLogP3.27
TPSA84.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 53.27
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

1-(4-imidazo[1,5-a]pyridin-3-ylsulfanyl-3-nitrophenyl)ethanone
CID 39743396
5-imidazo[1,5-a]pyridin-3-ylsulfanyl-8-nitroisoquinoline
CID 32680217
3-nitro-4-pyridin-4-ylsulfanylbenzonitrile
CID 122134137
4-[2-(hydroxymethyl)phenyl]sulfanyl-3-nitrobenzonitrile
CID 10684609
2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(2-nitrophenyl)propanamide
CID 46794291
4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-nitrobenzonitrile
CID 3471707
sodium 3-nitro-4-sulfanylbenzonitrile
CID 23676650
4-(2-amino-5-methoxyphenyl)sulfanyl-3-nitrobenzonitrile
CID 86702709
4-nitro-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzonitrile
CID 133478727
4-nitro-3-(1-propan-2-yltetrazol-5-yl)sulfanylbenzonitrile
CID 133478602
4-(furan-2-ylmethylsulfanyl)-3-nitrobenzonitrile
CID 5077347
4-amino-3-nitrobenzonitrile
CID 595901

Frequently Asked Questions

What is the IUPAC name of 4-imidazo[1,5-a]pyridin-3-ylsulfanyl-3-nitrobenzonitrile?
The IUPAC name of 4-imidazo[1,5-a]pyridin-3-ylsulfanyl-3-nitrobenzonitrile (CID 27816725) is 4-imidazo[1,5-a]pyridin-3-ylsulfanyl-3-nitrobenzonitrile.
What is the SMILES notation for 4-imidazo[1,5-a]pyridin-3-ylsulfanyl-3-nitrobenzonitrile?
The canonical SMILES for 4-imidazo[1,5-a]pyridin-3-ylsulfanyl-3-nitrobenzonitrile is N#Cc1ccc(Sc2ncc3ccccn23)c([N+](=O)[O-])c1.
What is the InChIKey of 4-imidazo[1,5-a]pyridin-3-ylsulfanyl-3-nitrobenzonitrile?
The InChIKey is UQOXBXINJLGGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4O2S/c15-8-10-4-5-13(12(7-10)18(19)20)21-14-16-9-11-3-1-2-6-17(11)14/h1-7,9H.
What are the key properties of 4-imidazo[1,5-a]pyridin-3-ylsulfanyl-3-nitrobenzonitrile?
4-imidazo[1,5-a]pyridin-3-ylsulfanyl-3-nitrobenzonitrile has a molecular weight of 296.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazo[1,5-a]pyridin-3-ylsulfanyl-3-nitrobenzonitrile is sourced from PubChem (CID 27816725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).