(2-hydroxyethylamino)methyl pyridine-2-carboxylate

C9H12N2O3 — CID 142799656

IUPAC(2-hydroxyethylamino)methyl pyridine-2-carboxylate
SMILESO=C(OCNCCO)c1ccccn1
InChIInChI=1S/C9H12N2O3/c12-6-5-10-7-14-9(13)8-3-1-2-4-11-8/h1-4,10,12H,5-7H2
InChIKeyKWZIAGLXSKYOIO-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.22
Rot. Bonds5

About (2-hydroxyethylamino)methyl pyridine-2-carboxylate

(2-hydroxyethylamino)methyl pyridine-2-carboxylate (PubChem CID 142799656) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is (2-hydroxyethylamino)methyl pyridine-2-carboxylate.

Molecular Properties

Compound Name(2-hydroxyethylamino)methyl pyridine-2-carboxylate
PubChem CID142799656
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name(2-hydroxyethylamino)methyl pyridine-2-carboxylate
SMILESO=C(OCNCCO)c1ccccn1
InChIInChI=1S/C9H12N2O3/c12-6-5-10-7-14-9(13)8-3-1-2-4-11-8/h1-4,10,12H,5-7H2
InChIKeyKWZIAGLXSKYOIO-UHFFFAOYSA-N
XLogP-0.22
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2-hydroxyethylamino)methyl pyridine-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyethylamino)methyl pyridine-2-carboxylate?
The IUPAC name of (2-hydroxyethylamino)methyl pyridine-2-carboxylate (CID 142799656) is (2-hydroxyethylamino)methyl pyridine-2-carboxylate.
What is the SMILES notation for (2-hydroxyethylamino)methyl pyridine-2-carboxylate?
The canonical SMILES for (2-hydroxyethylamino)methyl pyridine-2-carboxylate is O=C(OCNCCO)c1ccccn1.
What is the InChIKey of (2-hydroxyethylamino)methyl pyridine-2-carboxylate?
The InChIKey is KWZIAGLXSKYOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-6-5-10-7-14-9(13)8-3-1-2-4-11-8/h1-4,10,12H,5-7H2.
What are the key properties of (2-hydroxyethylamino)methyl pyridine-2-carboxylate?
(2-hydroxyethylamino)methyl pyridine-2-carboxylate has a molecular weight of 196.21 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyethylamino)methyl pyridine-2-carboxylate is sourced from PubChem (CID 142799656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).