7-nitroindeno[1,2-b]pyridin-5-one

C12H6N2O3 — CID 614657

IUPAC7-nitroindeno[1,2-b]pyridin-5-one
SMILESO=C1c2cc([N+](=O)[O-])ccc2-c2ncccc21
InChIInChI=1S/C12H6N2O3/c15-12-9-2-1-5-13-11(9)8-4-3-7(14(16)17)6-10(8)12/h1-6H
InChIKeyUHKGMCVBCVDFKM-UHFFFAOYSA-N
MW226.19 g/mol
LogP2.20
Rot. Bonds1

About 7-nitroindeno[1,2-b]pyridin-5-one

7-nitroindeno[1,2-b]pyridin-5-one (PubChem CID 614657) has the molecular formula C12H6N2O3 and a molecular weight of 226.19 g/mol. Its IUPAC name is 7-nitroindeno[1,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-nitroindeno[1,2-b]pyridin-5-one
PubChem CID614657
Molecular FormulaC12H6N2O3
Molecular Weight226.19 g/mol
Exact Mass226.04
IUPAC Name7-nitroindeno[1,2-b]pyridin-5-one
SMILESO=C1c2cc([N+](=O)[O-])ccc2-c2ncccc21
InChIInChI=1S/C12H6N2O3/c15-12-9-2-1-5-13-11(9)8-4-3-7(14(16)17)6-10(8)12/h1-6H
InChIKeyUHKGMCVBCVDFKM-UHFFFAOYSA-N
XLogP2.20
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}, {'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 7-nitroindeno[1,2-b]pyridin-5-one?
The IUPAC name of 7-nitroindeno[1,2-b]pyridin-5-one (CID 614657) is 7-nitroindeno[1,2-b]pyridin-5-one.
What is the SMILES notation for 7-nitroindeno[1,2-b]pyridin-5-one?
The canonical SMILES for 7-nitroindeno[1,2-b]pyridin-5-one is O=C1c2cc([N+](=O)[O-])ccc2-c2ncccc21.
What is the InChIKey of 7-nitroindeno[1,2-b]pyridin-5-one?
The InChIKey is UHKGMCVBCVDFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N2O3/c15-12-9-2-1-5-13-11(9)8-4-3-7(14(16)17)6-10(8)12/h1-6H.
What are the key properties of 7-nitroindeno[1,2-b]pyridin-5-one?
7-nitroindeno[1,2-b]pyridin-5-one has a molecular weight of 226.19 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitroindeno[1,2-b]pyridin-5-one is sourced from PubChem (CID 614657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).