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

C14H12N2O5 — CID 62098338

IUPAC6-(2,4-dimethyl-6-nitrophenoxy)pyridine-3-carboxylic acid
SMILESCc1cc(C)c(Oc2ccc(C(=O)O)cn2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12N2O5/c1-8-5-9(2)13(11(6-8)16(19)20)21-12-4-3-10(7-15-12)14(17)18/h3-7H,1-2H3,(H,17,18)
InChIKeyNUHTWUCNHWQQAN-UHFFFAOYSA-N
MW288.26 g/mol
LogP3.10
Rot. Bonds4

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

6-(2,4-dimethyl-6-nitrophenoxy)pyridine-3-carboxylic acid (PubChem CID 62098338) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 6-(2,4-dimethyl-6-nitrophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,4-dimethyl-6-nitrophenoxy)pyridine-3-carboxylic acid
PubChem CID62098338
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name6-(2,4-dimethyl-6-nitrophenoxy)pyridine-3-carboxylic acid
SMILESCc1cc(C)c(Oc2ccc(C(=O)O)cn2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12N2O5/c1-8-5-9(2)13(11(6-8)16(19)20)21-12-4-3-10(7-15-12)14(17)18/h3-7H,1-2H3,(H,17,18)
InChIKeyNUHTWUCNHWQQAN-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-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carboxylic acid
CID 115491121
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
CID 114416376
5-(2,4-dimethyl-6-nitrophenoxy)pyrazin-2-amine
CID 80664421
3-(2,4-dimethyl-6-nitrophenoxy)benzoic acid
CID 63941504
5-bromo-2-(2,4-dimethyl-6-nitrophenoxy)-4-methylpyridine
CID 114870736
6-(4-carbamoyl-2,6-dimethylphenoxy)pyridine-3-carboxylic acid
CID 65454117
6-(2,3,5-trimethylphenoxy)pyridine-3-carboxylic acid
CID 28933532
2-(2,4-dimethyl-6-nitrophenoxy)pyrimidine-4-carboxylic acid
CID 107554847
6-(4-fluoro-2-nitrophenoxy)pyridine-3-carboxylic acid
CID 62369990
4-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)oxy]benzoic acid
CID 83259628
6-methoxy-5-nitropyridine-3-carboxylic acid
CID 79001953
1-(2,4-dimethyl-6-nitrophenoxy)-3,3-dimethylbutan-2-one
CID 55021233

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethyl-6-nitrophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2,4-dimethyl-6-nitrophenoxy)pyridine-3-carboxylic acid (CID 62098338) is 6-(2,4-dimethyl-6-nitrophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2,4-dimethyl-6-nitrophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2,4-dimethyl-6-nitrophenoxy)pyridine-3-carboxylic acid is Cc1cc(C)c(Oc2ccc(C(=O)O)cn2)c([N+](=O)[O-])c1.
What is the InChIKey of 6-(2,4-dimethyl-6-nitrophenoxy)pyridine-3-carboxylic acid?
The InChIKey is NUHTWUCNHWQQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-8-5-9(2)13(11(6-8)16(19)20)21-12-4-3-10(7-15-12)14(17)18/h3-7H,1-2H3,(H,17,18).
What are the key properties of 6-(2,4-dimethyl-6-nitrophenoxy)pyridine-3-carboxylic acid?
6-(2,4-dimethyl-6-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 6-(2,4-dimethyl-6-nitrophenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 62098338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).