3-fluoro-2-(4-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid

C13H9FN2O5 — CID 105380037

IUPAC3-fluoro-2-(4-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid
SMILESCc1ccc(Oc2nccc(C(=O)O)c2F)c([N+](=O)[O-])c1
InChIInChI=1S/C13H9FN2O5/c1-7-2-3-10(9(6-7)16(19)20)21-12-11(14)8(13(17)18)4-5-15-12/h2-6H,1H3,(H,17,18)
InChIKeyWPIGJHYHTLTROR-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.93
Rot. Bonds4

About 3-fluoro-2-(4-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid

3-fluoro-2-(4-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid (PubChem CID 105380037) has the molecular formula C13H9FN2O5 and a molecular weight of 292.22 g/mol. Its IUPAC name is 3-fluoro-2-(4-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-(4-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid
PubChem CID105380037
Molecular FormulaC13H9FN2O5
Molecular Weight292.22 g/mol
Exact Mass292.05
IUPAC Name3-fluoro-2-(4-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid
SMILESCc1ccc(Oc2nccc(C(=O)O)c2F)c([N+](=O)[O-])c1
InChIInChI=1S/C13H9FN2O5/c1-7-2-3-10(9(6-7)16(19)20)21-12-11(14)8(13(17)18)4-5-15-12/h2-6H,1H3,(H,17,18)
InChIKeyWPIGJHYHTLTROR-UHFFFAOYSA-N
XLogP2.93
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.93
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'}

Analyze 3-fluoro-2-(4-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methyl-2-nitrophenoxy)pyridine-3-carboxylic acid
CID 45437625
3-fluoro-2-(5-fluoro-2-nitrophenoxy)pyridine-4-carboxylic acid
CID 105380022
3-(4-methyl-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 62702106
3-fluoro-2-(3-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid
CID 105380025
4-methyl-2-(4-methyl-2-nitrophenoxy)benzoic acid
CID 61395720
3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 105379913
2-(4-methyl-2-nitrophenoxy)benzoic acid
CID 61311075
4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
CID 19897914
4-chloro-2-(4-methyl-2-nitrophenoxy)benzoic acid
CID 61395960
2-(4-methyl-2-nitrophenoxy)pyridin-3-amine
CID 114051805
5-methyl-2-(5-methyl-2-nitrophenoxy)benzoic acid
CID 62516355
1-(4-fluorophenoxy)-4-methyl-2-nitrobenzene
CID 133413588

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(4-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-(4-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid (CID 105380037) is 3-fluoro-2-(4-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-(4-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-(4-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid is Cc1ccc(Oc2nccc(C(=O)O)c2F)c([N+](=O)[O-])c1.
What is the InChIKey of 3-fluoro-2-(4-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid?
The InChIKey is WPIGJHYHTLTROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O5/c1-7-2-3-10(9(6-7)16(19)20)21-12-11(14)8(13(17)18)4-5-15-12/h2-6H,1H3,(H,17,18).
What are the key properties of 3-fluoro-2-(4-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid?
3-fluoro-2-(4-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid has a molecular weight of 292.22 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(4-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 105380037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).