6-(2-methoxyethoxy)pyridine-3-carboxylic acid

C9H11NO4 — CID 15067093

IUPAC6-(2-methoxyethoxy)pyridine-3-carboxylic acid
SMILESCOCCOc1ccc(C(=O)O)cn1
InChIInChI=1S/C9H11NO4/c1-13-4-5-14-8-3-2-7(6-10-8)9(11)12/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKeyWZTUGPZSOYQWBL-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.81
Rot. Bonds5

About 6-(2-methoxyethoxy)pyridine-3-carboxylic acid

6-(2-methoxyethoxy)pyridine-3-carboxylic acid (PubChem CID 15067093) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-methoxyethoxy)pyridine-3-carboxylic acid
PubChem CID15067093
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name6-(2-methoxyethoxy)pyridine-3-carboxylic acid
SMILESCOCCOc1ccc(C(=O)O)cn1
InChIInChI=1S/C9H11NO4/c1-13-4-5-14-8-3-2-7(6-10-8)9(11)12/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKeyWZTUGPZSOYQWBL-UHFFFAOYSA-N
XLogP0.81
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl Nicotinate
CID 69188
2-Butoxyethyl 3-pyridinecarboxylate
CID 14866
Isopropyl nicotinate
CID 68379
Butyl nicotinate
CID 81353
2,6-Dimethoxypyridine-3-carboxylic acid
CID 853178
3-Pyridinecarboxylic acid, 2-phenoxy-, methyl ester
CID 215890
6-(2,2,2-Trifluoroethoxy)pyridine-3-carboxylic acid
CID 2781028
6-Methoxynicotinic acid
CID 592499
(Tetrahydro-2-furanyl)methyl 3-pyridinecarboxylate
CID 6260
Nicotinic acid, pentyl ester
CID 348507
Nicotinic acid, 3-methylphenyl ester
CID 532681
4-Methoxyphenyl nicotinate
CID 532682

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-methoxyethoxy)pyridine-3-carboxylic acid (CID 15067093) is 6-(2-methoxyethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-methoxyethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-methoxyethoxy)pyridine-3-carboxylic acid is COCCOc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(2-methoxyethoxy)pyridine-3-carboxylic acid?
The InChIKey is WZTUGPZSOYQWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-13-4-5-14-8-3-2-7(6-10-8)9(11)12/h2-3,6H,4-5H2,1H3,(H,11,12).
What are the key properties of 6-(2-methoxyethoxy)pyridine-3-carboxylic acid?
6-(2-methoxyethoxy)pyridine-3-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 15067093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).