3-[(5-fluoro-2-nitrophenyl)methoxy]pyridine-4-carboxylic acid

C13H9FN2O5 — CID 81438798

IUPAC3-[(5-fluoro-2-nitrophenyl)methoxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1OCc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H9FN2O5/c14-9-1-2-11(16(19)20)8(5-9)7-21-12-6-15-4-3-10(12)13(17)18/h1-6H,7H2,(H,17,18)
InChIKeyPSLSJDMBSTYORK-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.41
Rot. Bonds5

About 3-[(5-fluoro-2-nitrophenyl)methoxy]pyridine-4-carboxylic acid

3-[(5-fluoro-2-nitrophenyl)methoxy]pyridine-4-carboxylic acid (PubChem CID 81438798) has the molecular formula C13H9FN2O5 and a molecular weight of 292.22 g/mol. Its IUPAC name is 3-[(5-fluoro-2-nitrophenyl)methoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(5-fluoro-2-nitrophenyl)methoxy]pyridine-4-carboxylic acid
PubChem CID81438798
Molecular FormulaC13H9FN2O5
Molecular Weight292.22 g/mol
Exact Mass292.05
IUPAC Name3-[(5-fluoro-2-nitrophenyl)methoxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1OCc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H9FN2O5/c14-9-1-2-11(16(19)20)8(5-9)7-21-12-6-15-4-3-10(12)13(17)18/h1-6H,7H2,(H,17,18)
InChIKeyPSLSJDMBSTYORK-UHFFFAOYSA-N
XLogP2.41
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.41
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

3-[(2,5-difluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446392
3-[(2-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446134
3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-4-carboxylic acid
CID 81439548
3-[(5-fluoro-2-nitrophenyl)methoxy]thiophene-2-carboxylic acid
CID 63338489
4-fluoro-2-[(2-iodophenoxy)methyl]-1-nitrobenzene
CID 47230967
4-[(5-fluoro-2-nitrophenyl)methoxy]phenol
CID 43443691
2-[[2-(chloromethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene
CID 43443680
3-[(3-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446135
3-[(2-ethoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 81445971
3-fluoro-2-(5-fluoro-2-nitrophenoxy)pyridine-4-carboxylic acid
CID 105380022
2-[2-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine
CID 60905408
3-[(3-fluoro-2-pyridinyl)methoxy]pyridine-4-carboxylic acid
CID 175485081

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-nitrophenyl)methoxy]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(5-fluoro-2-nitrophenyl)methoxy]pyridine-4-carboxylic acid (CID 81438798) is 3-[(5-fluoro-2-nitrophenyl)methoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(5-fluoro-2-nitrophenyl)methoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(5-fluoro-2-nitrophenyl)methoxy]pyridine-4-carboxylic acid is O=C(O)c1ccncc1OCc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 3-[(5-fluoro-2-nitrophenyl)methoxy]pyridine-4-carboxylic acid?
The InChIKey is PSLSJDMBSTYORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O5/c14-9-1-2-11(16(19)20)8(5-9)7-21-12-6-15-4-3-10(12)13(17)18/h1-6H,7H2,(H,17,18).
What are the key properties of 3-[(5-fluoro-2-nitrophenyl)methoxy]pyridine-4-carboxylic acid?
3-[(5-fluoro-2-nitrophenyl)methoxy]pyridine-4-carboxylic acid has a molecular weight of 292.22 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-nitrophenyl)methoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 81438798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).