3-(2-hydroxyethoxy)pyridine-2-carboxylic acid

C8H9NO4 — CID 61380073

IUPAC3-(2-hydroxyethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCCO
InChIInChI=1S/C8H9NO4/c10-4-5-13-6-2-1-3-9-7(6)8(11)12/h1-3,10H,4-5H2,(H,11,12)
InChIKeyLGKMEFGJZVAOKR-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.15
Rot. Bonds4

About 3-(2-hydroxyethoxy)pyridine-2-carboxylic acid

3-(2-hydroxyethoxy)pyridine-2-carboxylic acid (PubChem CID 61380073) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 3-(2-hydroxyethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-hydroxyethoxy)pyridine-2-carboxylic acid
PubChem CID61380073
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name3-(2-hydroxyethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCCO
InChIInChI=1S/C8H9NO4/c10-4-5-13-6-2-1-3-9-7(6)8(11)12/h1-3,10H,4-5H2,(H,11,12)
InChIKeyLGKMEFGJZVAOKR-UHFFFAOYSA-N
XLogP0.15
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-(2-hydroxyethoxy)pyridine-2-carboxylic acid (CID 61380073) is 3-(2-hydroxyethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(2-hydroxyethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(2-hydroxyethoxy)pyridine-2-carboxylic acid is O=C(O)c1ncccc1OCCO.
What is the InChIKey of 3-(2-hydroxyethoxy)pyridine-2-carboxylic acid?
The InChIKey is LGKMEFGJZVAOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c10-4-5-13-6-2-1-3-9-7(6)8(11)12/h1-3,10H,4-5H2,(H,11,12).
What are the key properties of 3-(2-hydroxyethoxy)pyridine-2-carboxylic acid?
3-(2-hydroxyethoxy)pyridine-2-carboxylic acid has a molecular weight of 183.16 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 61380073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).