3-chloro-6-[ethyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid

C10H13ClN2O3 — CID 60980382

IUPAC3-chloro-6-[ethyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid
SMILESCCN(CCO)c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C10H13ClN2O3/c1-2-13(5-6-14)8-4-3-7(11)9(12-8)10(15)16/h3-4,14H,2,5-6H2,1H3,(H,15,16)
InChIKeyKJQXTQVAQQTEMD-UHFFFAOYSA-N
MW244.68 g/mol
LogP1.25
Rot. Bonds5

About 3-chloro-6-[ethyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid

3-chloro-6-[ethyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid (PubChem CID 60980382) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 3-chloro-6-[ethyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[ethyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid
PubChem CID60980382
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name3-chloro-6-[ethyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid
SMILESCCN(CCO)c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C10H13ClN2O3/c1-2-13(5-6-14)8-4-3-7(11)9(12-8)10(15)16/h3-4,14H,2,5-6H2,1H3,(H,15,16)
InChIKeyKJQXTQVAQQTEMD-UHFFFAOYSA-N
XLogP1.25
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[ethyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[ethyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid (CID 60980382) is 3-chloro-6-[ethyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[ethyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[ethyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid is CCN(CCO)c1ccc(Cl)c(C(=O)O)n1.
What is the InChIKey of 3-chloro-6-[ethyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid?
The InChIKey is KJQXTQVAQQTEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-2-13(5-6-14)8-4-3-7(11)9(12-8)10(15)16/h3-4,14H,2,5-6H2,1H3,(H,15,16).
What are the key properties of 3-chloro-6-[ethyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid?
3-chloro-6-[ethyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid has a molecular weight of 244.68 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[ethyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 60980382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).