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

C13H10N2O5 — CID 171322995

IUPACmethyl 5-(2-nitrophenoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Oc2ccccc2[N+](=O)[O-])cn1
InChIInChI=1S/C13H10N2O5/c1-19-13(16)10-7-6-9(8-14-10)20-12-5-3-2-4-11(12)15(17)18/h2-8H,1H3
InChIKeySTJIKQHLXPLRKV-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.57
Rot. Bonds4

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

methyl 5-(2-nitrophenoxy)pyridine-2-carboxylate (PubChem CID 171322995) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is methyl 5-(2-nitrophenoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-nitrophenoxy)pyridine-2-carboxylate
PubChem CID171322995
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Namemethyl 5-(2-nitrophenoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Oc2ccccc2[N+](=O)[O-])cn1
InChIInChI=1S/C13H10N2O5/c1-19-13(16)10-7-6-9(8-14-10)20-12-5-3-2-4-11(12)15(17)18/h2-8H,1H3
InChIKeySTJIKQHLXPLRKV-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

5-(2-nitrophenoxy)pyridine-2-carboxylic acid
CID 113321699
methyl 5-(3-nitrophenoxy)pyridine-2-carboxylate
CID 58968821
methyl 6-(2-iodophenoxy)-5-nitropyridine-2-carboxylate
CID 114403235
methyl 5-(4-methylphenoxy)pyridine-2-carboxylate
CID 59966219
1-(4-methylphenoxy)-2-nitrobenzene
CID 3377310
1,2-dimethoxy-4-(2-nitrophenoxy)benzene
CID 11369382
2-methyl-5-(2-methyl-3-nitrophenoxy)pyridine
CID 69456314
2-methyl-N-[4-(2-nitrophenoxy)phenyl]propanamide
CID 133348005
4-[(6-acetyl-3-pyridinyl)oxy]-3-nitrobenzonitrile
CID 83118833
5-(5-methoxy-2-nitrophenoxy)pyridine-2-carboximidamide
CID 102702745
methyl 5-bromo-2-(2-nitrophenoxy)benzoate
CID 58522499
5-(2-methylphenoxy)pyridine-2-carboxylic acid
CID 83643883

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-nitrophenoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 5-(2-nitrophenoxy)pyridine-2-carboxylate (CID 171322995) is methyl 5-(2-nitrophenoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(2-nitrophenoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(2-nitrophenoxy)pyridine-2-carboxylate is COC(=O)c1ccc(Oc2ccccc2[N+](=O)[O-])cn1.
What is the InChIKey of methyl 5-(2-nitrophenoxy)pyridine-2-carboxylate?
The InChIKey is STJIKQHLXPLRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c1-19-13(16)10-7-6-9(8-14-10)20-12-5-3-2-4-11(12)15(17)18/h2-8H,1H3.
What are the key properties of methyl 5-(2-nitrophenoxy)pyridine-2-carboxylate?
methyl 5-(2-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-(2-nitrophenoxy)pyridine-2-carboxylate is sourced from PubChem (CID 171322995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).