3-[ethyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid

C10H14N2O3 — CID 105062611

IUPAC3-[ethyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid
SMILESCCN(CCO)c1cnccc1C(=O)O
InChIInChI=1S/C10H14N2O3/c1-2-12(5-6-13)9-7-11-4-3-8(9)10(14)15/h3-4,7,13H,2,5-6H2,1H3,(H,14,15)
InChIKeyLXBGWCAVNCUVBH-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.60
Rot. Bonds5

About 3-[ethyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid

3-[ethyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid (PubChem CID 105062611) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-[ethyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid
PubChem CID105062611
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-[ethyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid
SMILESCCN(CCO)c1cnccc1C(=O)O
InChIInChI=1S/C10H14N2O3/c1-2-12(5-6-13)9-7-11-4-3-8(9)10(14)15/h3-4,7,13H,2,5-6H2,1H3,(H,14,15)
InChIKeyLXBGWCAVNCUVBH-UHFFFAOYSA-N
XLogP0.60
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid (CID 105062611) is 3-[ethyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[ethyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[ethyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid is CCN(CCO)c1cnccc1C(=O)O.
What is the InChIKey of 3-[ethyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid?
The InChIKey is LXBGWCAVNCUVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-12(5-6-13)9-7-11-4-3-8(9)10(14)15/h3-4,7,13H,2,5-6H2,1H3,(H,14,15).
What are the key properties of 3-[ethyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid?
3-[ethyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 105062611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).