methyl 4-(3-fluoro-4-nitrophenoxy)pyridine-2-carboxylate

C13H9FN2O5 — CID 23153479

IUPACmethyl 4-(3-fluoro-4-nitrophenoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(Oc2ccc([N+](=O)[O-])c(F)c2)ccn1
InChIInChI=1S/C13H9FN2O5/c1-20-13(17)11-7-9(4-5-15-11)21-8-2-3-12(16(18)19)10(14)6-8/h2-7H,1H3
InChIKeyXZRAKSDGBWAWPH-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.71
Rot. Bonds4

About methyl 4-(3-fluoro-4-nitrophenoxy)pyridine-2-carboxylate

methyl 4-(3-fluoro-4-nitrophenoxy)pyridine-2-carboxylate (PubChem CID 23153479) has the molecular formula C13H9FN2O5 and a molecular weight of 292.22 g/mol. Its IUPAC name is methyl 4-(3-fluoro-4-nitrophenoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-fluoro-4-nitrophenoxy)pyridine-2-carboxylate
PubChem CID23153479
Molecular FormulaC13H9FN2O5
Molecular Weight292.22 g/mol
Exact Mass292.05
IUPAC Namemethyl 4-(3-fluoro-4-nitrophenoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(Oc2ccc([N+](=O)[O-])c(F)c2)ccn1
InChIInChI=1S/C13H9FN2O5/c1-20-13(17)11-7-9(4-5-15-11)21-8-2-3-12(16(18)19)10(14)6-8/h2-7H,1H3
InChIKeyXZRAKSDGBWAWPH-UHFFFAOYSA-N
XLogP2.71
TPSA91.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.71
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 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate
CID 23153051
methyl 4-(3-bromo-5-fluorophenoxy)pyridine-2-carboxylate
CID 81332451
4-(3-chloro-4-nitrophenoxy)pyridine-2-carboxylic acid
CID 62111596
4-(3-fluoro-4-nitrophenoxy)-6,7-dimethoxyquinoline;hydrochloride
CID 133054183
4-(3-fluoro-4-nitrophenoxy)-6-methoxyquinolin-7-ol
CID 135621708
3-(3-fluoro-4-nitrophenoxy)benzoic acid
CID 63941299
4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 162090161
disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride
CID 172849137
1-[5-(3-fluoro-4-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940569
4-(3-fluoro-4-nitrophenoxy)-7-methoxy-6-methylquinoline;propane
CID 142137161
methyl 4-(2-aminoethoxy)pyridine-2-carboxylate
CID 66286147
(1S)-1-[4-(3-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370009

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-fluoro-4-nitrophenoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(3-fluoro-4-nitrophenoxy)pyridine-2-carboxylate (CID 23153479) is methyl 4-(3-fluoro-4-nitrophenoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(3-fluoro-4-nitrophenoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(3-fluoro-4-nitrophenoxy)pyridine-2-carboxylate is COC(=O)c1cc(Oc2ccc([N+](=O)[O-])c(F)c2)ccn1.
What is the InChIKey of methyl 4-(3-fluoro-4-nitrophenoxy)pyridine-2-carboxylate?
The InChIKey is XZRAKSDGBWAWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O5/c1-20-13(17)11-7-9(4-5-15-11)21-8-2-3-12(16(18)19)10(14)6-8/h2-7H,1H3.
What are the key properties of methyl 4-(3-fluoro-4-nitrophenoxy)pyridine-2-carboxylate?
methyl 4-(3-fluoro-4-nitrophenoxy)pyridine-2-carboxylate has a molecular weight of 292.22 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-fluoro-4-nitrophenoxy)pyridine-2-carboxylate is sourced from PubChem (CID 23153479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).