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

C13H10N2O5 — CID 62701074

IUPAC6-methyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(Oc2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C13H10N2O5/c1-8-5-6-11(13(16)17)12(14-8)20-10-4-2-3-9(7-10)15(18)19/h2-7H,1H3,(H,16,17)
InChIKeyLVXVCVOILDPTQS-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.79
Rot. Bonds4

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

6-methyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid (PubChem CID 62701074) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is 6-methyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
PubChem CID62701074
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name6-methyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(Oc2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C13H10N2O5/c1-8-5-6-11(13(16)17)12(14-8)20-10-4-2-3-9(7-10)15(18)19/h2-7H,1H3,(H,16,17)
InChIKeyLVXVCVOILDPTQS-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

6-chloro-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
CID 63376850
4,6-dimethyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
CID 60677891
2-(3-ethoxyphenoxy)-6-methylpyridine-3-carboxylic acid
CID 62702428
6-methyl-2-(3-nitrophenoxy)pyrimidine-4-carboxylic acid
CID 107554866
2-(3,4-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid
CID 62703441
2-(3,5-difluorophenoxy)-6-methylpyridine-3-carboxylic acid
CID 62783634
2-methyl-5-(3-nitrophenoxy)pyridine
CID 59712225
3-chloro-2-(3-nitrophenoxy)benzoic acid
CID 104629375
1,3-dimethyl-5-(3-nitrophenoxy)pyrazole-4-carboxylic acid
CID 61031648
2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine
CID 79076239
[5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol
CID 80629220
2-(3-bromophenoxy)-5-nitropyridine-3-carboxylic acid
CID 104629363

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid (CID 62701074) is 6-methyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(Oc2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of 6-methyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid?
The InChIKey is LVXVCVOILDPTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c1-8-5-6-11(13(16)17)12(14-8)20-10-4-2-3-9(7-10)15(18)19/h2-7H,1H3,(H,16,17).
What are the key properties of 6-methyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid?
6-methyl-2-(3-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 6-methyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 62701074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).