5-methyl-6-(2-methyl-3-nitrophenoxy)pyridine-3-carboxylic acid

C14H12N2O5 — CID 80632599

IUPAC5-methyl-6-(2-methyl-3-nitrophenoxy)pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1Oc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C14H12N2O5/c1-8-6-10(14(17)18)7-15-13(8)21-12-5-3-4-11(9(12)2)16(19)20/h3-7H,1-2H3,(H,17,18)
InChIKeyPPLYJNUOMYSABV-UHFFFAOYSA-N
MW288.26 g/mol
LogP3.10
Rot. Bonds4

About 5-methyl-6-(2-methyl-3-nitrophenoxy)pyridine-3-carboxylic acid

5-methyl-6-(2-methyl-3-nitrophenoxy)pyridine-3-carboxylic acid (PubChem CID 80632599) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 5-methyl-6-(2-methyl-3-nitrophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-6-(2-methyl-3-nitrophenoxy)pyridine-3-carboxylic acid
PubChem CID80632599
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name5-methyl-6-(2-methyl-3-nitrophenoxy)pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1Oc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C14H12N2O5/c1-8-6-10(14(17)18)7-15-13(8)21-12-5-3-4-11(9(12)2)16(19)20/h3-7H,1-2H3,(H,17,18)
InChIKeyPPLYJNUOMYSABV-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'}

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Related Compounds

5-methyl-6-phenoxypyridine-3-carboxylic acid
CID 15687066
2-(2-methyl-3-nitrophenoxy)benzoic acid
CID 14920125
6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80631293
6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80632032
6-methoxy-5-nitropyridine-3-carboxylic acid
CID 79001953
4-fluoro-2-(2-methyl-3-nitrophenoxy)benzoic acid
CID 107016511
2-methyl-3-[(5-methyl-3-nitro-2-pyridinyl)oxy]phenol
CID 66280066
4-chloro-6-(2-methyl-3-nitrophenoxy)pyrimidine
CID 61277340
6-(3-ethoxyphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80631046
6-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide
CID 61032434
2-methyl-5-(2-methyl-3-nitrophenoxy)pyridine
CID 69456314
6-[3-(dimethylamino)phenoxy]-5-methylpyridine-3-carboxylic acid
CID 80632781

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(2-methyl-3-nitrophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-methyl-6-(2-methyl-3-nitrophenoxy)pyridine-3-carboxylic acid (CID 80632599) is 5-methyl-6-(2-methyl-3-nitrophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-6-(2-methyl-3-nitrophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-methyl-6-(2-methyl-3-nitrophenoxy)pyridine-3-carboxylic acid is Cc1cc(C(=O)O)cnc1Oc1cccc([N+](=O)[O-])c1C.
What is the InChIKey of 5-methyl-6-(2-methyl-3-nitrophenoxy)pyridine-3-carboxylic acid?
The InChIKey is PPLYJNUOMYSABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-8-6-10(14(17)18)7-15-13(8)21-12-5-3-4-11(9(12)2)16(19)20/h3-7H,1-2H3,(H,17,18).
What are the key properties of 5-methyl-6-(2-methyl-3-nitrophenoxy)pyridine-3-carboxylic acid?
5-methyl-6-(2-methyl-3-nitrophenoxy)pyridine-3-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-methyl-6-(2-methyl-3-nitrophenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 80632599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).