2-(2,5-dimethyl-4-nitrophenoxy)pyridine-4-carboxylic acid

C14H12N2O5 — CID 60726441

IUPAC2-(2,5-dimethyl-4-nitrophenoxy)pyridine-4-carboxylic acid
SMILESCc1cc([N+](=O)[O-])c(C)cc1Oc1cc(C(=O)O)ccn1
InChIInChI=1S/C14H12N2O5/c1-8-6-12(9(2)5-11(8)16(19)20)21-13-7-10(14(17)18)3-4-15-13/h3-7H,1-2H3,(H,17,18)
InChIKeyXRDVVPUVCQQBDZ-UHFFFAOYSA-N
MW288.26 g/mol
LogP3.10
Rot. Bonds4

About 2-(2,5-dimethyl-4-nitrophenoxy)pyridine-4-carboxylic acid

2-(2,5-dimethyl-4-nitrophenoxy)pyridine-4-carboxylic acid (PubChem CID 60726441) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 2-(2,5-dimethyl-4-nitrophenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dimethyl-4-nitrophenoxy)pyridine-4-carboxylic acid
PubChem CID60726441
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name2-(2,5-dimethyl-4-nitrophenoxy)pyridine-4-carboxylic acid
SMILESCc1cc([N+](=O)[O-])c(C)cc1Oc1cc(C(=O)O)ccn1
InChIInChI=1S/C14H12N2O5/c1-8-6-12(9(2)5-11(8)16(19)20)21-13-7-10(14(17)18)3-4-15-13/h3-7H,1-2H3,(H,17,18)
InChIKeyXRDVVPUVCQQBDZ-UHFFFAOYSA-N
XLogP3.10
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 53.10
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 2-(2,5-dimethyl-4-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

4-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)oxy]benzoic acid
CID 83259628
2-(4-bromo-2-nitrophenoxy)pyridine-4-carboxylic acid
CID 65431452
2-(2-fluoro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 61038317
2-(2-bromo-5-nitrophenoxy)pyridine-4-carboxylic acid
CID 103009656
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
CID 114416376
3-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-nitrobenzoic acid
CID 82780459
2-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
CID 79175885
3-[(6-methyl-2-pyridinyl)oxy]-4-nitrobenzoic acid
CID 107078079
4-methyl-3-pyridin-2-yloxybenzoic acid
CID 55031137
3-(2,5-dimethyl-4-nitrophenoxy)propanoic acid
CID 63180569
6-(2,5-dimethyl-4-nitrophenoxy)-2-methylpyrimidin-4-amine
CID 80879991
4-(2,5-dimethyl-4-nitrophenoxy)but-2-enoic acid
CID 76987974

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-4-nitrophenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 2-(2,5-dimethyl-4-nitrophenoxy)pyridine-4-carboxylic acid (CID 60726441) is 2-(2,5-dimethyl-4-nitrophenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2,5-dimethyl-4-nitrophenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2,5-dimethyl-4-nitrophenoxy)pyridine-4-carboxylic acid is Cc1cc([N+](=O)[O-])c(C)cc1Oc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-(2,5-dimethyl-4-nitrophenoxy)pyridine-4-carboxylic acid?
The InChIKey is XRDVVPUVCQQBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-8-6-12(9(2)5-11(8)16(19)20)21-13-7-10(14(17)18)3-4-15-13/h3-7H,1-2H3,(H,17,18).
What are the key properties of 2-(2,5-dimethyl-4-nitrophenoxy)pyridine-4-carboxylic acid?
2-(2,5-dimethyl-4-nitrophenoxy)pyridine-4-carboxylic acid has a molecular weight of 288.26 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-4-nitrophenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 60726441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).