5-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carboxylic acid

C14H12N2O5 — CID 115491121

IUPAC5-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carboxylic acid
SMILESCc1cc(C)c(Oc2ccc(C(=O)O)nc2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12N2O5/c1-8-5-9(2)13(12(6-8)16(19)20)21-10-3-4-11(14(17)18)15-7-10/h3-7H,1-2H3,(H,17,18)
InChIKeyJSYVAHQUQKFMGT-UHFFFAOYSA-N
MW288.26 g/mol
LogP3.10
Rot. Bonds4

About 5-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carboxylic acid

5-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carboxylic acid (PubChem CID 115491121) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 5-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carboxylic acid
PubChem CID115491121
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name5-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carboxylic acid
SMILESCc1cc(C)c(Oc2ccc(C(=O)O)nc2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12N2O5/c1-8-5-9(2)13(12(6-8)16(19)20)21-10-3-4-11(14(17)18)15-7-10/h3-7H,1-2H3,(H,17,18)
InChIKeyJSYVAHQUQKFMGT-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 5-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-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

2-(2,4-dimethyl-6-nitrophenoxy)pyrimidine-4-carboxylic acid
CID 107554847
6-(2,4-dimethyl-6-nitrophenoxy)pyridine-3-carboxylic acid
CID 62098338
3-(2,4-dimethyl-6-nitrophenoxy)benzoic acid
CID 63941504
5-(2-nitrophenoxy)pyridine-2-carboxylic acid
CID 113321699
4-(2,4-dimethyl-6-nitrophenoxy)benzaldehyde
CID 62099520
2-[4-(chloromethyl)phenoxy]-1,5-dimethyl-3-nitrobenzene
CID 63566433
5-(2,4-dimethyl-6-nitrophenoxy)pyrazin-2-amine
CID 80664421
5-bromo-2-(2,4-dimethyl-6-nitrophenoxy)-4-methylpyridine
CID 114870736
2-chloro-4-(2,4-dimethyl-6-nitrophenoxy)benzonitrile
CID 62948840
5-(2-methylphenoxy)pyridine-2-carboxylic acid
CID 83643883
2,4-dimethyl-6-nitrobenzoic acid
CID 53416170
1-(2,4-dimethyl-6-nitrophenoxy)-3,3-dimethylbutan-2-one
CID 55021233

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carboxylic acid (CID 115491121) is 5-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carboxylic acid is Cc1cc(C)c(Oc2ccc(C(=O)O)nc2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carboxylic acid?
The InChIKey is JSYVAHQUQKFMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-8-5-9(2)13(12(6-8)16(19)20)21-10-3-4-11(14(17)18)15-7-10/h3-7H,1-2H3,(H,17,18).
What are the key properties of 5-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carboxylic acid?
5-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-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 5-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 115491121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).