1-(4-methyl-3-nitro-2-pyridinyl)piperidine-2,6-dione

C11H11N3O4 — CID 121223866

IUPAC1-(4-methyl-3-nitro-2-pyridinyl)piperidine-2,6-dione
SMILESCc1ccnc(N2C(=O)CCCC2=O)c1[N+](=O)[O-]
InChIInChI=1S/C11H11N3O4/c1-7-5-6-12-11(10(7)14(17)18)13-8(15)3-2-4-9(13)16/h5-6H,2-4H2,1H3
InChIKeyYEHYYHWKROJVRO-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.34
Rot. Bonds2

About 1-(4-methyl-3-nitro-2-pyridinyl)piperidine-2,6-dione

1-(4-methyl-3-nitro-2-pyridinyl)piperidine-2,6-dione (PubChem CID 121223866) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 1-(4-methyl-3-nitro-2-pyridinyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(4-methyl-3-nitro-2-pyridinyl)piperidine-2,6-dione
PubChem CID121223866
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name1-(4-methyl-3-nitro-2-pyridinyl)piperidine-2,6-dione
SMILESCc1ccnc(N2C(=O)CCCC2=O)c1[N+](=O)[O-]
InChIInChI=1S/C11H11N3O4/c1-7-5-6-12-11(10(7)14(17)18)13-8(15)3-2-4-9(13)16/h5-6H,2-4H2,1H3
InChIKeyYEHYYHWKROJVRO-UHFFFAOYSA-N
XLogP1.34
TPSA93.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.34
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-1-(4-methyl-3-nitro-2-pyridinyl)pyrrole-2,5-dione
CID 121216211
4-methyl-3-nitro-2-pyrrol-1-ylpyridine
CID 14222918
1-(4-methyl-3-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714620
[1-(4-methyl-3-nitro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676216
2-(4-methyl-3-nitro-2-pyridinyl)-7-nitro-3,4-dihydro-1H-isoquinoline
CID 133350154
1-(4-methyl-3-nitro-2-pyridinyl)-3-methylsulfanylazepane
CID 133394967
1-(4-methyl-3-nitro-2-pyridinyl)-4-(1H-1,2,4-triazol-5-yl)piperazine
CID 126823469
2-[3-hydroxy-1-(4-methyl-3-nitro-2-pyridinyl)azetidin-3-yl]acetonitrile
CID 133497748
2-(4-methyl-3-nitro-2-pyridinyl)-2,8-diazaspiro[5.5]undecane
CID 102850615
8-bromo-2-(4-methyl-3-nitro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
CID 133309081
4-methyl-3-nitro-2-[(3S)-3-pyridin-2-ylpiperidin-1-yl]pyridine
CID 125424049
(4-methyl-3-nitro-2-pyridinyl)methanol
CID 119088266

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-nitro-2-pyridinyl)piperidine-2,6-dione?
The IUPAC name of 1-(4-methyl-3-nitro-2-pyridinyl)piperidine-2,6-dione (CID 121223866) is 1-(4-methyl-3-nitro-2-pyridinyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(4-methyl-3-nitro-2-pyridinyl)piperidine-2,6-dione?
The canonical SMILES for 1-(4-methyl-3-nitro-2-pyridinyl)piperidine-2,6-dione is Cc1ccnc(N2C(=O)CCCC2=O)c1[N+](=O)[O-].
What is the InChIKey of 1-(4-methyl-3-nitro-2-pyridinyl)piperidine-2,6-dione?
The InChIKey is YEHYYHWKROJVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-7-5-6-12-11(10(7)14(17)18)13-8(15)3-2-4-9(13)16/h5-6H,2-4H2,1H3.
What are the key properties of 1-(4-methyl-3-nitro-2-pyridinyl)piperidine-2,6-dione?
1-(4-methyl-3-nitro-2-pyridinyl)piperidine-2,6-dione has a molecular weight of 249.23 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-nitro-2-pyridinyl)piperidine-2,6-dione is sourced from PubChem (CID 121223866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).