methyl 2-(4-nitrophenyl)-6-oxo-1H-pyridine-3-carboxylate

C13H10N2O5 — CID 24978048

IUPACmethyl 2-(4-nitrophenyl)-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)[nH]c1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H10N2O5/c1-20-13(17)10-6-7-11(16)14-12(10)8-2-4-9(5-3-8)15(18)19/h2-7H,1H3,(H,14,16)
InChIKeyBUDOYJUUJABPIM-UHFFFAOYSA-N
MW274.23 g/mol
LogP1.74
Rot. Bonds3

About methyl 2-(4-nitrophenyl)-6-oxo-1H-pyridine-3-carboxylate

methyl 2-(4-nitrophenyl)-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 24978048) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is methyl 2-(4-nitrophenyl)-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-nitrophenyl)-6-oxo-1H-pyridine-3-carboxylate
PubChem CID24978048
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Namemethyl 2-(4-nitrophenyl)-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)[nH]c1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H10N2O5/c1-20-13(17)10-6-7-11(16)14-12(10)8-2-4-9(5-3-8)15(18)19/h2-7H,1H3,(H,14,16)
InChIKeyBUDOYJUUJABPIM-UHFFFAOYSA-N
XLogP1.74
TPSA102.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 51.74
H-Bond Donors ≤ 51
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'}

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Related Compounds

Methyl 3-(4-nitrophenyl)-2-propenoate
CID 5354137
methyl 6-methyl-3-[(4-nitrobenzoyl)amino]-2-oxo-2H-pyran-5-carboxylate
CID 1475735
2-(Acetylamino)-3-(4-nitrophenyl)acrylic acid
CID 5408585
methyl (E)-2-benzamido-3-(4-nitrophenyl)prop-2-enoate
CID 5499406
ethyl 5-cyano-2-methyl-4-(4-nitrophenyl)-6-oxo-1H-pyridine-3-carboxylate
CID 76309908
3-(4-Nitro-phenyl)-acrylic acid methyl ester
CID 219685
methyl (E)-4-(4-nitroanilino)-4-oxobut-2-enoate
CID 12621204
methyl (E)-4-(4-methylanilino)-4-oxobut-2-enoate
CID 12931629
Methyl (2Z)-3-[(4-nitrophenyl)carbamoyl]prop-2-enoate
CID 12621205
(Z)-methyl 4-oxo-4-(p-tolylamino)but-2-enoate
CID 12931630
methyl (E)-4-[(4-nitrobenzoyl)amino]but-2-enoate
CID 118669168
Methyl alpha-cyano-4-nitrocinnamate
CID 2171852

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-nitrophenyl)-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 2-(4-nitrophenyl)-6-oxo-1H-pyridine-3-carboxylate (CID 24978048) is methyl 2-(4-nitrophenyl)-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(4-nitrophenyl)-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(4-nitrophenyl)-6-oxo-1H-pyridine-3-carboxylate is COC(=O)c1ccc(=O)[nH]c1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of methyl 2-(4-nitrophenyl)-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is BUDOYJUUJABPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c1-20-13(17)10-6-7-11(16)14-12(10)8-2-4-9(5-3-8)15(18)19/h2-7H,1H3,(H,14,16).
What are the key properties of methyl 2-(4-nitrophenyl)-6-oxo-1H-pyridine-3-carboxylate?
methyl 2-(4-nitrophenyl)-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 274.23 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-nitrophenyl)-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 24978048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).