6-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylic acid

C11H13ClN2O3 — CID 63376824

IUPAC6-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1N1CCC(O)CC1
InChIInChI=1S/C11H13ClN2O3/c12-9-2-1-8(11(16)17)10(13-9)14-5-3-7(15)4-6-14/h1-2,7,15H,3-6H2,(H,16,17)
InChIKeyHUYJWIQQXFTGQY-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.39
Rot. Bonds2

About 6-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylic acid

6-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 63376824) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 6-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylic acid
PubChem CID63376824
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name6-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1N1CCC(O)CC1
InChIInChI=1S/C11H13ClN2O3/c12-9-2-1-8(11(16)17)10(13-9)14-5-3-7(15)4-6-14/h1-2,7,15H,3-6H2,(H,16,17)
InChIKeyHUYJWIQQXFTGQY-UHFFFAOYSA-N
XLogP1.39
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylic acid (CID 63376824) is 6-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylic acid is O=C(O)c1ccc(Cl)nc1N1CCC(O)CC1.
What is the InChIKey of 6-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is HUYJWIQQXFTGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c12-9-2-1-8(11(16)17)10(13-9)14-5-3-7(15)4-6-14/h1-2,7,15H,3-6H2,(H,16,17).
What are the key properties of 6-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylic acid?
6-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 256.69 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63376824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).