4,6-dimethyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid

C14H12N2O5 — CID 60677891

IUPAC4,6-dimethyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(Oc2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C14H12N2O5/c1-8-6-9(2)15-13(12(8)14(17)18)21-11-5-3-4-10(7-11)16(19)20/h3-7H,1-2H3,(H,17,18)
InChIKeyLRRHNWZXPOEVOX-UHFFFAOYSA-N
MW288.26 g/mol
LogP3.10
Rot. Bonds4

About 4,6-dimethyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid

4,6-dimethyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid (PubChem CID 60677891) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 4,6-dimethyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
PubChem CID60677891
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name4,6-dimethyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(Oc2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C14H12N2O5/c1-8-6-9(2)15-13(12(8)14(17)18)21-11-5-3-4-10(7-11)16(19)20/h3-7H,1-2H3,(H,17,18)
InChIKeyLRRHNWZXPOEVOX-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

6-methyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
CID 62701074
6-methyl-2-(3-nitrophenoxy)pyrimidine-4-carboxylic acid
CID 107554866
2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678648
6-chloro-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
CID 63376850
1,3-dimethyl-5-(3-nitrophenoxy)pyrazole-4-carboxylic acid
CID 61031648
2-(4-bromo-3-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 65203397
2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine
CID 79076239
[5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol
CID 80629220
3-bromo-4-methyl-2-(3-nitrophenoxy)pyridine
CID 106877947
2-methyl-5-(3-nitrophenoxy)pyridine
CID 59712225
5-(chloromethyl)-3-methyl-2-(3-nitrophenoxy)pyridine
CID 80627929
2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 81331677

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid (CID 60677891) is 4,6-dimethyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(Oc2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of 4,6-dimethyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid?
The InChIKey is LRRHNWZXPOEVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-8-6-9(2)15-13(12(8)14(17)18)21-11-5-3-4-10(7-11)16(19)20/h3-7H,1-2H3,(H,17,18).
What are the key properties of 4,6-dimethyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid?
4,6-dimethyl-2-(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 4,6-dimethyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 60677891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).