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

C13H9FN2O5 — CID 105380025

IUPAC3-fluoro-2-(3-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid
SMILESCc1cccc(Oc2nccc(C(=O)O)c2F)c1[N+](=O)[O-]
InChIInChI=1S/C13H9FN2O5/c1-7-3-2-4-9(11(7)16(19)20)21-12-10(14)8(13(17)18)5-6-15-12/h2-6H,1H3,(H,17,18)
InChIKeyMMFSJYPAWAAHGU-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.93
Rot. Bonds4

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

3-fluoro-2-(3-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid (PubChem CID 105380025) has the molecular formula C13H9FN2O5 and a molecular weight of 292.22 g/mol. Its IUPAC name is 3-fluoro-2-(3-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-(3-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid
PubChem CID105380025
Molecular FormulaC13H9FN2O5
Molecular Weight292.22 g/mol
Exact Mass292.05
IUPAC Name3-fluoro-2-(3-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid
SMILESCc1cccc(Oc2nccc(C(=O)O)c2F)c1[N+](=O)[O-]
InChIInChI=1S/C13H9FN2O5/c1-7-3-2-4-9(11(7)16(19)20)21-12-10(14)8(13(17)18)5-6-15-12/h2-6H,1H3,(H,17,18)
InChIKeyMMFSJYPAWAAHGU-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'}

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Related Compounds

3-fluoro-2-(4-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid
CID 105380037
3-fluoro-2-(5-fluoro-2-nitrophenoxy)pyridine-4-carboxylic acid
CID 105380022
4-(3-methyl-2-nitrophenoxy)pyridine-2-carboxylic acid
CID 61037967
3-amino-2-(2-fluoro-3-methylphenoxy)pyridine-4-carboxylic acid
CID 107659996
2-(2-cyano-3-fluorophenoxy)-3-fluoropyridine-4-carboxylic acid
CID 105380007
3-(2-fluoro-3-methylphenoxy)pyridazine-4-carboxylic acid
CID 107661523
5-bromo-2-[(4-methyl-3-nitro-2-pyridinyl)oxy]benzoic acid
CID 104629704
3-fluoro-2-(3-methoxyphenoxy)pyridine-4-carboxylic acid
CID 105379912
3-(3-fluoro-4-methylphenoxy)-2-nitrobenzoic acid
CID 107168850
3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 105379913
2-(3-methyl-2-nitrophenoxy)acetic acid
CID 43437973
2-(3-methyl-2-nitrophenoxy)phenol
CID 114041918

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(3-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-(3-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid (CID 105380025) is 3-fluoro-2-(3-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-(3-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-(3-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid is Cc1cccc(Oc2nccc(C(=O)O)c2F)c1[N+](=O)[O-].
What is the InChIKey of 3-fluoro-2-(3-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid?
The InChIKey is MMFSJYPAWAAHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O5/c1-7-3-2-4-9(11(7)16(19)20)21-12-10(14)8(13(17)18)5-6-15-12/h2-6H,1H3,(H,17,18).
What are the key properties of 3-fluoro-2-(3-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid?
3-fluoro-2-(3-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-(3-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 105380025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).