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

C13H10N2O5 — CID 45437625

IUPAC2-(4-methyl-2-nitrophenoxy)pyridine-3-carboxylic acid
SMILESCc1ccc(Oc2ncccc2C(=O)O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10N2O5/c1-8-4-5-11(10(7-8)15(18)19)20-12-9(13(16)17)3-2-6-14-12/h2-7H,1H3,(H,16,17)
InChIKeyQXQQBALVTHXDNC-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.79
Rot. Bonds4

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

2-(4-methyl-2-nitrophenoxy)pyridine-3-carboxylic acid (PubChem CID 45437625) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is 2-(4-methyl-2-nitrophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-methyl-2-nitrophenoxy)pyridine-3-carboxylic acid
PubChem CID45437625
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name2-(4-methyl-2-nitrophenoxy)pyridine-3-carboxylic acid
SMILESCc1ccc(Oc2ncccc2C(=O)O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10N2O5/c1-8-4-5-11(10(7-8)15(18)19)20-12-9(13(16)17)3-2-6-14-12/h2-7H,1H3,(H,16,17)
InChIKeyQXQQBALVTHXDNC-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

3-fluoro-2-(4-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid
CID 105380037
3-(4-methyl-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 62702106
2-(4-methyl-2-nitrophenoxy)benzoic acid
CID 61311075
2-(4-methyl-2-nitrophenoxy)pyridin-3-amine
CID 114051805
4-methyl-2-(4-methyl-2-nitrophenoxy)benzoic acid
CID 61395720
4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
CID 19897914
4-chloro-2-(4-methyl-2-nitrophenoxy)benzoic acid
CID 61395960
2-(4-tert-butyl-2-methylphenoxy)pyridine-3-carboxylic acid
CID 43238290
4-methoxy-2-[(3-nitro-2-pyridinyl)oxy]benzoic acid
CID 61395996
5-methyl-2-(5-methyl-2-nitrophenoxy)benzoic acid
CID 62516355
2-fluoro-5-[(2-methyl-3-pyridinyl)oxy]-4-nitrobenzoic acid
CID 104699229
6-(4-methyl-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 66455721

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-nitrophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-methyl-2-nitrophenoxy)pyridine-3-carboxylic acid (CID 45437625) is 2-(4-methyl-2-nitrophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-methyl-2-nitrophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-methyl-2-nitrophenoxy)pyridine-3-carboxylic acid is Cc1ccc(Oc2ncccc2C(=O)O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-methyl-2-nitrophenoxy)pyridine-3-carboxylic acid?
The InChIKey is QXQQBALVTHXDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c1-8-4-5-11(10(7-8)15(18)19)20-12-9(13(16)17)3-2-6-14-12/h2-7H,1H3,(H,16,17).
What are the key properties of 2-(4-methyl-2-nitrophenoxy)pyridine-3-carboxylic acid?
2-(4-methyl-2-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 2-(4-methyl-2-nitrophenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 45437625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).