methyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-2-phenylacetate

C15H14N2O5 — CID 84570450

IUPACmethyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)n1cc([N+](=O)[O-])cc(C)c1=O
InChIInChI=1S/C15H14N2O5/c1-10-8-12(17(20)21)9-16(14(10)18)13(15(19)22-2)11-6-4-3-5-7-11/h3-9,13H,1-2H3
InChIKeyGPDSIRWMMPTHKM-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.83
Rot. Bonds4

About methyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-2-phenylacetate

methyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-2-phenylacetate (PubChem CID 84570450) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is methyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-2-phenylacetate
PubChem CID84570450
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Namemethyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)n1cc([N+](=O)[O-])cc(C)c1=O
InChIInChI=1S/C15H14N2O5/c1-10-8-12(17(20)21)9-16(14(10)18)13(15(19)22-2)11-6-4-3-5-7-11/h3-9,13H,1-2H3
InChIKeyGPDSIRWMMPTHKM-UHFFFAOYSA-N
XLogP1.83
TPSA91.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

methyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)butanoate
CID 84573279
3-methyl-5-nitro-1-(1-oxo-1-phenylpropan-2-yl)pyridin-2-one
CID 84570206
3-methyl-5-nitro-1-(3-oxobutan-2-yl)pyridin-2-one
CID 84570624
N-(4-methoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide
CID 84572490
N-(3,4-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide
CID 84572510
1-(2-methoxy-2-oxo-1-phenylethyl)-6-oxopyridine-3-carboxylic acid
CID 62109020
methyl 2-[(3,5-dinitrobenzoyl)amino]-2-phenylacetate
CID 607125
2-methoxy-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide
CID 23790591
methyl 2-(3-hydroxyazetidin-1-yl)-2-(3-nitrophenyl)acetate
CID 166080080
N-(4-anilinophenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
CID 84572516
methyl 2-(3-methoxyazetidin-1-yl)-2-(3-nitrophenyl)acetate
CID 166080243
ethyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetate
CID 84570724

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-2-phenylacetate?
The IUPAC name of methyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-2-phenylacetate (CID 84570450) is methyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-2-phenylacetate.
What is the SMILES notation for methyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-2-phenylacetate?
The canonical SMILES for methyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-2-phenylacetate is COC(=O)C(c1ccccc1)n1cc([N+](=O)[O-])cc(C)c1=O.
What is the InChIKey of methyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-2-phenylacetate?
The InChIKey is GPDSIRWMMPTHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-10-8-12(17(20)21)9-16(14(10)18)13(15(19)22-2)11-6-4-3-5-7-11/h3-9,13H,1-2H3.
What are the key properties of methyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-2-phenylacetate?
methyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-2-phenylacetate has a molecular weight of 302.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-2-phenylacetate is sourced from PubChem (CID 84570450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).