2-hydroxyethyl pyridine-3-carboxylate

C8H9NO3 — CID 19222

IUPAC2-hydroxyethyl pyridine-3-carboxylate
SMILESO=C(OCCO)c1cccnc1
InChIInChI=1S/C8H9NO3/c10-4-5-12-8(11)7-2-1-3-9-6-7/h1-3,6,10H,4-5H2
InChIKeyOMMRNSLAFWRKOH-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.23
Rot. Bonds3

About 2-hydroxyethyl pyridine-3-carboxylate

2-hydroxyethyl pyridine-3-carboxylate (PubChem CID 19222) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-hydroxyethyl pyridine-3-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl pyridine-3-carboxylate
PubChem CID19222
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-hydroxyethyl pyridine-3-carboxylate
SMILESO=C(OCCO)c1cccnc1
InChIInChI=1S/C8H9NO3/c10-4-5-12-8(11)7-2-1-3-9-6-7/h1-3,6,10H,4-5H2
InChIKeyOMMRNSLAFWRKOH-UHFFFAOYSA-N
XLogP0.23
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-hydroxyethyl pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nicotinic Acid
CID 938
Trigonelline
CID 5570
Methyl Nicotinate
CID 7151
Ethyl Nicotinate
CID 69188
Benzyl Nicotinate
CID 7191
2-Butoxyethyl 3-pyridinecarboxylate
CID 14866
Oxiniacic Acid
CID 16976
Hexyl nicotinate
CID 90202
5-Fluoronicotinic Acid
CID 120232
Isopropyl nicotinate
CID 68379
Butyl nicotinate
CID 81353
Nicametate
CID 71650

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl pyridine-3-carboxylate?
The IUPAC name of 2-hydroxyethyl pyridine-3-carboxylate (CID 19222) is 2-hydroxyethyl pyridine-3-carboxylate.
What is the SMILES notation for 2-hydroxyethyl pyridine-3-carboxylate?
The canonical SMILES for 2-hydroxyethyl pyridine-3-carboxylate is O=C(OCCO)c1cccnc1.
What is the InChIKey of 2-hydroxyethyl pyridine-3-carboxylate?
The InChIKey is OMMRNSLAFWRKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c10-4-5-12-8(11)7-2-1-3-9-6-7/h1-3,6,10H,4-5H2.
What are the key properties of 2-hydroxyethyl pyridine-3-carboxylate?
2-hydroxyethyl pyridine-3-carboxylate has a molecular weight of 167.16 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl pyridine-3-carboxylate is sourced from PubChem (CID 19222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).