ethyl 2-methyl-5-(4-nitrophenoxy)pyridine-4-carboxylate

C15H14N2O5 — CID 157036923

IUPACethyl 2-methyl-5-(4-nitrophenoxy)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C)ncc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N2O5/c1-3-21-15(18)13-8-10(2)16-9-14(13)22-12-6-4-11(5-7-12)17(19)20/h4-9H,3H2,1-2H3
InChIKeyIORGKPIHBCSNRW-UHFFFAOYSA-N
MW302.29 g/mol
LogP3.27
Rot. Bonds5

About ethyl 2-methyl-5-(4-nitrophenoxy)pyridine-4-carboxylate

ethyl 2-methyl-5-(4-nitrophenoxy)pyridine-4-carboxylate (PubChem CID 157036923) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is ethyl 2-methyl-5-(4-nitrophenoxy)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-(4-nitrophenoxy)pyridine-4-carboxylate
PubChem CID157036923
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Nameethyl 2-methyl-5-(4-nitrophenoxy)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C)ncc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N2O5/c1-3-21-15(18)13-8-10(2)16-9-14(13)22-12-6-4-11(5-7-12)17(19)20/h4-9H,3H2,1-2H3
InChIKeyIORGKPIHBCSNRW-UHFFFAOYSA-N
XLogP3.27
TPSA91.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 53.27
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

ethyl 2-(3,5-difluorophenoxy)-5-nitrobenzoate
CID 22993866
ethyl 4-(5-nitropyrimidin-2-yl)oxybenzoate
CID 65019585
ethyl 2-(2,2-difluoroethoxy)-5-nitrobenzoate
CID 86658666
ethyl 5-methyl-1-(4-nitrophenyl)pyrazole-4-carboxylate
CID 2741473
diethyl 2-[[4-(4-nitrobenzoyl)oxyphenyl]methylidene]propanedioate
CID 59920502
ethyl 4-cyano-6-methylpyridine-3-carboxylate
CID 101070953
ethyl 2-[(E)-2-(4-hexoxyphenyl)ethenyl]-5-nitropyridine-3-carboxylate
CID 7598135
ethyl 2-fluoro-5-nitrobenzoate;2-fluoro-5-nitrobenzoic acid
CID 162132016
ethyl 2-(4-nitrobenzoyl)benzoate
CID 24722830
2-(4-ethoxyphenoxy)-5-nitroaniline
CID 62506652
ethyl 5-nitro-2-propoxypyridine-3-carboxylate
CID 54001736
ethyl 2-methyl-7-nitroquinoline-3-carboxylate
CID 13057616

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-(4-nitrophenoxy)pyridine-4-carboxylate?
The IUPAC name of ethyl 2-methyl-5-(4-nitrophenoxy)pyridine-4-carboxylate (CID 157036923) is ethyl 2-methyl-5-(4-nitrophenoxy)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-(4-nitrophenoxy)pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-(4-nitrophenoxy)pyridine-4-carboxylate is CCOC(=O)c1cc(C)ncc1Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of ethyl 2-methyl-5-(4-nitrophenoxy)pyridine-4-carboxylate?
The InChIKey is IORGKPIHBCSNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-3-21-15(18)13-8-10(2)16-9-14(13)22-12-6-4-11(5-7-12)17(19)20/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-5-(4-nitrophenoxy)pyridine-4-carboxylate?
ethyl 2-methyl-5-(4-nitrophenoxy)pyridine-4-carboxylate has a molecular weight of 302.29 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-(4-nitrophenoxy)pyridine-4-carboxylate is sourced from PubChem (CID 157036923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).