6-(2-fluoro-3-methylphenoxy)-5-nitropyridine-2-carboxylic acid

C13H9FN2O5 — CID 107656824

IUPAC6-(2-fluoro-3-methylphenoxy)-5-nitropyridine-2-carboxylic acid
SMILESCc1cccc(Oc2nc(C(=O)O)ccc2[N+](=O)[O-])c1F
InChIInChI=1S/C13H9FN2O5/c1-7-3-2-4-10(11(7)14)21-12-9(16(19)20)6-5-8(15-12)13(17)18/h2-6H,1H3,(H,17,18)
InChIKeyLCKIYFXSRICSOS-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.93
Rot. Bonds4

About 6-(2-fluoro-3-methylphenoxy)-5-nitropyridine-2-carboxylic acid

6-(2-fluoro-3-methylphenoxy)-5-nitropyridine-2-carboxylic acid (PubChem CID 107656824) has the molecular formula C13H9FN2O5 and a molecular weight of 292.22 g/mol. Its IUPAC name is 6-(2-fluoro-3-methylphenoxy)-5-nitropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-fluoro-3-methylphenoxy)-5-nitropyridine-2-carboxylic acid
PubChem CID107656824
Molecular FormulaC13H9FN2O5
Molecular Weight292.22 g/mol
Exact Mass292.05
IUPAC Name6-(2-fluoro-3-methylphenoxy)-5-nitropyridine-2-carboxylic acid
SMILESCc1cccc(Oc2nc(C(=O)O)ccc2[N+](=O)[O-])c1F
InChIInChI=1S/C13H9FN2O5/c1-7-3-2-4-10(11(7)14)21-12-9(16(19)20)6-5-8(15-12)13(17)18/h2-6H,1H3,(H,17,18)
InChIKeyLCKIYFXSRICSOS-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

6-(3-methylphenoxy)-5-nitropyridine-2-carboxylic acid
CID 114403138
6-(5-chloro-2-methylphenoxy)-5-nitropyridine-2-carboxylic acid
CID 114403306
N-ethyl-6-(2-fluoro-3-methylphenoxy)-5-nitropyridin-2-amine
CID 107662749
6-ethoxy-5-nitropyridine-2-carboxylic acid
CID 114403118
6-[4-(hydroxymethyl)phenoxy]-5-nitropyridine-2-carboxylic acid
CID 114403255
5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
CID 114403116
5-nitro-6-phenylmethoxypyridine-2-carboxylic acid
CID 22565263
6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine
CID 80880828
methyl 6-(2-iodophenoxy)-5-nitropyridine-2-carboxylate
CID 114403235
6-(3-methylbutoxy)-5-nitropyridine-2-carboxylic acid
CID 114403164
6-heptoxy-5-nitropyridine-2-carboxylic acid
CID 114403198
5-(2-fluoro-3-methylphenoxy)-2-nitroaniline
CID 107662448

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-methylphenoxy)-5-nitropyridine-2-carboxylic acid?
The IUPAC name of 6-(2-fluoro-3-methylphenoxy)-5-nitropyridine-2-carboxylic acid (CID 107656824) is 6-(2-fluoro-3-methylphenoxy)-5-nitropyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-fluoro-3-methylphenoxy)-5-nitropyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-fluoro-3-methylphenoxy)-5-nitropyridine-2-carboxylic acid is Cc1cccc(Oc2nc(C(=O)O)ccc2[N+](=O)[O-])c1F.
What is the InChIKey of 6-(2-fluoro-3-methylphenoxy)-5-nitropyridine-2-carboxylic acid?
The InChIKey is LCKIYFXSRICSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O5/c1-7-3-2-4-10(11(7)14)21-12-9(16(19)20)6-5-8(15-12)13(17)18/h2-6H,1H3,(H,17,18).
What are the key properties of 6-(2-fluoro-3-methylphenoxy)-5-nitropyridine-2-carboxylic acid?
6-(2-fluoro-3-methylphenoxy)-5-nitropyridine-2-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 6-(2-fluoro-3-methylphenoxy)-5-nitropyridine-2-carboxylic acid is sourced from PubChem (CID 107656824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).