7-methyl-4-nitroindeno[2,1-b]pyridin-9-one

C13H8N2O3 — CID 59938912

IUPAC7-methyl-4-nitroindeno[2,1-b]pyridin-9-one
SMILESCc1ccc2c(c1)C(=O)c1nccc([N+](=O)[O-])c1-2
InChIInChI=1S/C13H8N2O3/c1-7-2-3-8-9(6-7)13(16)12-11(8)10(15(17)18)4-5-14-12/h2-6H,1H3
InChIKeyBLNABHBRGCDBEU-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.51
Rot. Bonds1

About 7-methyl-4-nitroindeno[2,1-b]pyridin-9-one

7-methyl-4-nitroindeno[2,1-b]pyridin-9-one (PubChem CID 59938912) has the molecular formula C13H8N2O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is 7-methyl-4-nitroindeno[2,1-b]pyridin-9-one.

Molecular Properties

Compound Name7-methyl-4-nitroindeno[2,1-b]pyridin-9-one
PubChem CID59938912
Molecular FormulaC13H8N2O3
Molecular Weight240.22 g/mol
Exact Mass240.05
IUPAC Name7-methyl-4-nitroindeno[2,1-b]pyridin-9-one
SMILESCc1ccc2c(c1)C(=O)c1nccc([N+](=O)[O-])c1-2
InChIInChI=1S/C13H8N2O3/c1-7-2-3-8-9(6-7)13(16)12-11(8)10(15(17)18)4-5-14-12/h2-6H,1H3
InChIKeyBLNABHBRGCDBEU-UHFFFAOYSA-N
XLogP2.51
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.51
H-Bond Donors ≤ 50
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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Related Compounds

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CID 142655224
2-(4-methyl-2-nitrophenyl)-1H-imidazole
CID 67618498
4-methyl-2-(4-methylphenyl)-1-nitrobenzene
CID 57163038
2-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide
CID 154376206
4-methyl-2-nitrophenolate
CID 6989903
1-chloro-6,7-dimethyl-4-nitroanthracene-9,10-dione
CID 134936639
sodium 4-methyl-2-nitrophenolate
CID 12989561
2-nitro-8-(2-nitrophenyl)thieno[2,3-g]quinoline-4,9-dione
CID 141334324
2,7-dimethyl-9-oxofluorene-4-carbonitrile
CID 58490125
1,4-dimethyl-2-nitrobenzene
CID 20849377
trimethyl-[(4-methyl-2-nitrophenoxy)methyl]silane
CID 56529290
[2-(5-methyl-2-nitrophenyl)-1,3-oxazol-4-yl]methanamine
CID 65461245

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-nitroindeno[2,1-b]pyridin-9-one?
The IUPAC name of 7-methyl-4-nitroindeno[2,1-b]pyridin-9-one (CID 59938912) is 7-methyl-4-nitroindeno[2,1-b]pyridin-9-one.
What is the SMILES notation for 7-methyl-4-nitroindeno[2,1-b]pyridin-9-one?
The canonical SMILES for 7-methyl-4-nitroindeno[2,1-b]pyridin-9-one is Cc1ccc2c(c1)C(=O)c1nccc([N+](=O)[O-])c1-2.
What is the InChIKey of 7-methyl-4-nitroindeno[2,1-b]pyridin-9-one?
The InChIKey is BLNABHBRGCDBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3/c1-7-2-3-8-9(6-7)13(16)12-11(8)10(15(17)18)4-5-14-12/h2-6H,1H3.
What are the key properties of 7-methyl-4-nitroindeno[2,1-b]pyridin-9-one?
7-methyl-4-nitroindeno[2,1-b]pyridin-9-one has a molecular weight of 240.22 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-nitroindeno[2,1-b]pyridin-9-one is sourced from PubChem (CID 59938912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).