6-(5-chloro-2-methylphenoxy)-5-nitropyridine-2-carboxylic acid

C13H9ClN2O5 — CID 114403306

IUPAC6-(5-chloro-2-methylphenoxy)-5-nitropyridine-2-carboxylic acid
SMILESCc1ccc(Cl)cc1Oc1nc(C(=O)O)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H9ClN2O5/c1-7-2-3-8(14)6-11(7)21-12-10(16(19)20)5-4-9(15-12)13(17)18/h2-6H,1H3,(H,17,18)
InChIKeyDRMZSXJGQFLLBA-UHFFFAOYSA-N
MW308.68 g/mol
LogP3.44
Rot. Bonds4

About 6-(5-chloro-2-methylphenoxy)-5-nitropyridine-2-carboxylic acid

6-(5-chloro-2-methylphenoxy)-5-nitropyridine-2-carboxylic acid (PubChem CID 114403306) has the molecular formula C13H9ClN2O5 and a molecular weight of 308.68 g/mol. Its IUPAC name is 6-(5-chloro-2-methylphenoxy)-5-nitropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(5-chloro-2-methylphenoxy)-5-nitropyridine-2-carboxylic acid
PubChem CID114403306
Molecular FormulaC13H9ClN2O5
Molecular Weight308.68 g/mol
Exact Mass308.02
IUPAC Name6-(5-chloro-2-methylphenoxy)-5-nitropyridine-2-carboxylic acid
SMILESCc1ccc(Cl)cc1Oc1nc(C(=O)O)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H9ClN2O5/c1-7-2-3-8(14)6-11(7)21-12-10(16(19)20)5-4-9(15-12)13(17)18/h2-6H,1H3,(H,17,18)
InChIKeyDRMZSXJGQFLLBA-UHFFFAOYSA-N
XLogP3.44
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.68
LogP ≤ 53.44
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 6-(5-chloro-2-methylphenoxy)-5-nitropyridine-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

6-(2-fluoro-3-methylphenoxy)-5-nitropyridine-2-carboxylic acid
CID 107656824
6-(3-methylphenoxy)-5-nitropyridine-2-carboxylic acid
CID 114403138
6-[(3-chlorophenyl)methoxy]-5-nitropyridine-2-carboxylic acid
CID 114403301
6-ethoxy-5-nitropyridine-2-carboxylic acid
CID 114403118
4-bromo-2-(5-chloro-2-nitrophenoxy)-1-methylbenzene
CID 107284554
2-(4-chloro-2-nitrophenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554753
5-(4-chloro-2-methylphenoxy)-2-nitrobenzoic acid
CID 29302699
6-[4-(hydroxymethyl)phenoxy]-5-nitropyridine-2-carboxylic acid
CID 114403255
4-chloro-2-(5-chloro-2-nitrophenoxy)benzoic acid
CID 63082703
methyl 5-chloro-2-[[6-(4-chloro-2-methoxycarbonylphenoxy)-5-nitro-2-pyridinyl]oxy]benzoate
CID 2741452
4-(5-chloro-2-nitrophenoxy)benzoic acid
CID 62306362
6-heptoxy-5-nitropyridine-2-carboxylic acid
CID 114403198

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methylphenoxy)-5-nitropyridine-2-carboxylic acid?
The IUPAC name of 6-(5-chloro-2-methylphenoxy)-5-nitropyridine-2-carboxylic acid (CID 114403306) is 6-(5-chloro-2-methylphenoxy)-5-nitropyridine-2-carboxylic acid.
What is the SMILES notation for 6-(5-chloro-2-methylphenoxy)-5-nitropyridine-2-carboxylic acid?
The canonical SMILES for 6-(5-chloro-2-methylphenoxy)-5-nitropyridine-2-carboxylic acid is Cc1ccc(Cl)cc1Oc1nc(C(=O)O)ccc1[N+](=O)[O-].
What is the InChIKey of 6-(5-chloro-2-methylphenoxy)-5-nitropyridine-2-carboxylic acid?
The InChIKey is DRMZSXJGQFLLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O5/c1-7-2-3-8(14)6-11(7)21-12-10(16(19)20)5-4-9(15-12)13(17)18/h2-6H,1H3,(H,17,18).
What are the key properties of 6-(5-chloro-2-methylphenoxy)-5-nitropyridine-2-carboxylic acid?
6-(5-chloro-2-methylphenoxy)-5-nitropyridine-2-carboxylic acid has a molecular weight of 308.68 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methylphenoxy)-5-nitropyridine-2-carboxylic acid is sourced from PubChem (CID 114403306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).