3-nitro-2-pyrrol-1-ylpyrazolo[1,5-a]pyridine

C11H8N4O2 — CID 141130694

IUPAC3-nitro-2-pyrrol-1-ylpyrazolo[1,5-a]pyridine
SMILESO=[N+]([O-])c1c(-n2cccc2)nn2ccccc12
InChIInChI=1S/C11H8N4O2/c16-15(17)10-9-5-1-2-8-14(9)12-11(10)13-6-3-4-7-13/h1-8H
InChIKeyZTKQDFKVYAPCQU-UHFFFAOYSA-N
MW228.21 g/mol
LogP2.03
Rot. Bonds2

About 3-nitro-2-pyrrol-1-ylpyrazolo[1,5-a]pyridine

3-nitro-2-pyrrol-1-ylpyrazolo[1,5-a]pyridine (PubChem CID 141130694) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 3-nitro-2-pyrrol-1-ylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-nitro-2-pyrrol-1-ylpyrazolo[1,5-a]pyridine
PubChem CID141130694
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name3-nitro-2-pyrrol-1-ylpyrazolo[1,5-a]pyridine
SMILESO=[N+]([O-])c1c(-n2cccc2)nn2ccccc12
InChIInChI=1S/C11H8N4O2/c16-15(17)10-9-5-1-2-8-14(9)12-11(10)13-6-3-4-7-13/h1-8H
InChIKeyZTKQDFKVYAPCQU-UHFFFAOYSA-N
XLogP2.03
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-pyrrol-1-ylpyrazolo[1,5-a]pyridine?
The IUPAC name of 3-nitro-2-pyrrol-1-ylpyrazolo[1,5-a]pyridine (CID 141130694) is 3-nitro-2-pyrrol-1-ylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-nitro-2-pyrrol-1-ylpyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-nitro-2-pyrrol-1-ylpyrazolo[1,5-a]pyridine is O=[N+]([O-])c1c(-n2cccc2)nn2ccccc12.
What is the InChIKey of 3-nitro-2-pyrrol-1-ylpyrazolo[1,5-a]pyridine?
The InChIKey is ZTKQDFKVYAPCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c16-15(17)10-9-5-1-2-8-14(9)12-11(10)13-6-3-4-7-13/h1-8H.
What are the key properties of 3-nitro-2-pyrrol-1-ylpyrazolo[1,5-a]pyridine?
3-nitro-2-pyrrol-1-ylpyrazolo[1,5-a]pyridine has a molecular weight of 228.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-pyrrol-1-ylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 141130694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).