4-(4-nitrophenyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one

C12H8N4O3 — CID 141335946

IUPAC4-(4-nitrophenyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one
SMILESO=c1cc(-c2ccc([N+](=O)[O-])cc2)c2cn[nH]c2[nH]1
InChIInChI=1S/C12H8N4O3/c17-11-5-9(10-6-13-15-12(10)14-11)7-1-3-8(4-2-7)16(18)19/h1-6H,(H2,13,14,15,17)
InChIKeyVCLGDHVXXSZVML-UHFFFAOYSA-N
MW256.22 g/mol
LogP1.83
Rot. Bonds2

About 4-(4-nitrophenyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one

4-(4-nitrophenyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one (PubChem CID 141335946) has the molecular formula C12H8N4O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 4-(4-nitrophenyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(4-nitrophenyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one
PubChem CID141335946
Molecular FormulaC12H8N4O3
Molecular Weight256.22 g/mol
Exact Mass256.06
IUPAC Name4-(4-nitrophenyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one
SMILESO=c1cc(-c2ccc([N+](=O)[O-])cc2)c2cn[nH]c2[nH]1
InChIInChI=1S/C12H8N4O3/c17-11-5-9(10-6-13-15-12(10)14-11)7-1-3-8(4-2-7)16(18)19/h1-6H,(H2,13,14,15,17)
InChIKeyVCLGDHVXXSZVML-UHFFFAOYSA-N
XLogP1.83
TPSA104.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 51.83
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(4-nitrophenyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one (CID 141335946) is 4-(4-nitrophenyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(4-nitrophenyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(4-nitrophenyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one is O=c1cc(-c2ccc([N+](=O)[O-])cc2)c2cn[nH]c2[nH]1.
What is the InChIKey of 4-(4-nitrophenyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one?
The InChIKey is VCLGDHVXXSZVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O3/c17-11-5-9(10-6-13-15-12(10)14-11)7-1-3-8(4-2-7)16(18)19/h1-6H,(H2,13,14,15,17).
What are the key properties of 4-(4-nitrophenyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one?
4-(4-nitrophenyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one has a molecular weight of 256.22 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 141335946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).