methyl 5-(3-nitrophenoxy)pyridine-2-carboxylate

C13H10N2O5 — CID 58968821

IUPACmethyl 5-(3-nitrophenoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Oc2cccc([N+](=O)[O-])c2)cn1
InChIInChI=1S/C13H10N2O5/c1-19-13(16)12-6-5-11(8-14-12)20-10-4-2-3-9(7-10)15(17)18/h2-8H,1H3
InChIKeyDXGFBDYSQNXEMF-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.57
Rot. Bonds4

About methyl 5-(3-nitrophenoxy)pyridine-2-carboxylate

methyl 5-(3-nitrophenoxy)pyridine-2-carboxylate (PubChem CID 58968821) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is methyl 5-(3-nitrophenoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-nitrophenoxy)pyridine-2-carboxylate
PubChem CID58968821
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Namemethyl 5-(3-nitrophenoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Oc2cccc([N+](=O)[O-])c2)cn1
InChIInChI=1S/C13H10N2O5/c1-19-13(16)12-6-5-11(8-14-12)20-10-4-2-3-9(7-10)15(17)18/h2-8H,1H3
InChIKeyDXGFBDYSQNXEMF-UHFFFAOYSA-N
XLogP2.57
TPSA91.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.57
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

2-methyl-5-(3-nitrophenoxy)pyridine
CID 59712225
methyl 5-(2-nitrophenoxy)pyridine-2-carboxylate
CID 171322995
methyl 5-(4-methylphenoxy)pyridine-2-carboxylate
CID 59966219
methyl 2-[4-(3-nitrophenoxy)phenyl]acetate
CID 69257481
3-methyl-5-(3-nitrophenoxy)pyridine
CID 23023073
3-[(6-nitro-3-pyridinyl)oxy]phenol
CID 114997816
ethane;methyl 3-nitrobenzoate
CID 166455377
1,3-dinitrobenzene;methyl benzoate
CID 174443884
1-[3-[(6-nitro-3-pyridinyl)oxy]phenyl]-3-phenylurea
CID 166064685
1-methyl-4-(3-nitrophenoxy)pyridin-1-ium
CID 10247796
1-methoxy-3-(3-nitrophenoxy)propan-2-one
CID 107508001
methyl 5-(4-nitrophenoxy)pyridine-3-carboxylate
CID 22040734

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-nitrophenoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 5-(3-nitrophenoxy)pyridine-2-carboxylate (CID 58968821) is methyl 5-(3-nitrophenoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(3-nitrophenoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(3-nitrophenoxy)pyridine-2-carboxylate is COC(=O)c1ccc(Oc2cccc([N+](=O)[O-])c2)cn1.
What is the InChIKey of methyl 5-(3-nitrophenoxy)pyridine-2-carboxylate?
The InChIKey is DXGFBDYSQNXEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c1-19-13(16)12-6-5-11(8-14-12)20-10-4-2-3-9(7-10)15(17)18/h2-8H,1H3.
What are the key properties of methyl 5-(3-nitrophenoxy)pyridine-2-carboxylate?
methyl 5-(3-nitrophenoxy)pyridine-2-carboxylate has a molecular weight of 274.23 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-nitrophenoxy)pyridine-2-carboxylate is sourced from PubChem (CID 58968821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).