5-(3-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid

C13H10N2O5 — CID 63851888

IUPAC5-(3-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
SMILESCc1cc(Oc2cncc(C(=O)O)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H10N2O5/c1-8-4-10(2-3-12(8)15(18)19)20-11-5-9(13(16)17)6-14-7-11/h2-7H,1H3,(H,16,17)
InChIKeyKYWGSWIARJMHDX-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.79
Rot. Bonds4

About 5-(3-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid

5-(3-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid (PubChem CID 63851888) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is 5-(3-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
PubChem CID63851888
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name5-(3-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
SMILESCc1cc(Oc2cncc(C(=O)O)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H10N2O5/c1-8-4-10(2-3-12(8)15(18)19)20-11-5-9(13(16)17)6-14-7-11/h2-7H,1H3,(H,16,17)
InChIKeyKYWGSWIARJMHDX-UHFFFAOYSA-N
XLogP2.79
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.79
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

5-(3-methyl-4-nitrophenoxy)pyridin-3-amine
CID 104536614
3-(3-methyl-4-nitrophenoxy)pyridine
CID 19042898
5-(5-chloro-2-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
CID 115556226
5-(1-methyl-4-nitropyrazol-3-yl)oxypyridine-3-carboxylic acid
CID 103080470
5-(4-fluoro-2-nitrophenoxy)pyridine-3-carboxylic acid
CID 63850359
5-(4-bromo-2-nitrophenoxy)pyridine-3-carboxylic acid
CID 63852232
methyl 4-(3-methyl-4-nitrophenoxy)benzoate
CID 60980580
methyl 6-(3-methyl-4-nitrophenoxy)pyrazine-2-carboxylate
CID 66457692
5-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 63850017
2-methyl-4-(3-methylphenoxy)-1-nitrobenzene
CID 21071560
5-[(2,6-dimethyl-4-pyridinyl)oxy]pyridine-3-carboxylic acid
CID 114272248
5-(4-sulfamoylphenoxy)pyridine-3-carboxylic acid
CID 63852234

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-(3-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid (CID 63851888) is 5-(3-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(3-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(3-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid is Cc1cc(Oc2cncc(C(=O)O)c2)ccc1[N+](=O)[O-].
What is the InChIKey of 5-(3-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid?
The InChIKey is KYWGSWIARJMHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c1-8-4-10(2-3-12(8)15(18)19)20-11-5-9(13(16)17)6-14-7-11/h2-7H,1H3,(H,16,17).
What are the key properties of 5-(3-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid?
5-(3-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid has a molecular weight of 274.23 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 63851888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).