2-chloro-6-(4-hydroxypiperidin-1-yl)pyridine-4-carboxamide

C11H14ClN3O2 — CID 86038381

IUPAC2-chloro-6-(4-hydroxypiperidin-1-yl)pyridine-4-carboxamide
SMILESNC(=O)c1cc(Cl)nc(N2CCC(O)CC2)c1
InChIInChI=1S/C11H14ClN3O2/c12-9-5-7(11(13)17)6-10(14-9)15-3-1-8(16)2-4-15/h5-6,8,16H,1-4H2,(H2,13,17)
InChIKeyONIBBVGECZYJLK-UHFFFAOYSA-N
MW255.70 g/mol
LogP0.80
Rot. Bonds2

About 2-chloro-6-(4-hydroxypiperidin-1-yl)pyridine-4-carboxamide

2-chloro-6-(4-hydroxypiperidin-1-yl)pyridine-4-carboxamide (PubChem CID 86038381) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-chloro-6-(4-hydroxypiperidin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(4-hydroxypiperidin-1-yl)pyridine-4-carboxamide
PubChem CID86038381
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name2-chloro-6-(4-hydroxypiperidin-1-yl)pyridine-4-carboxamide
SMILESNC(=O)c1cc(Cl)nc(N2CCC(O)CC2)c1
InChIInChI=1S/C11H14ClN3O2/c12-9-5-7(11(13)17)6-10(14-9)15-3-1-8(16)2-4-15/h5-6,8,16H,1-4H2,(H2,13,17)
InChIKeyONIBBVGECZYJLK-UHFFFAOYSA-N
XLogP0.80
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 50.80
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 2-chloro-6-(4-hydroxypiperidin-1-yl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(4-hydroxypiperidin-1-yl)pyridine-4-carboxamide (CID 86038381) is 2-chloro-6-(4-hydroxypiperidin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(4-hydroxypiperidin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(4-hydroxypiperidin-1-yl)pyridine-4-carboxamide is NC(=O)c1cc(Cl)nc(N2CCC(O)CC2)c1.
What is the InChIKey of 2-chloro-6-(4-hydroxypiperidin-1-yl)pyridine-4-carboxamide?
The InChIKey is ONIBBVGECZYJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-9-5-7(11(13)17)6-10(14-9)15-3-1-8(16)2-4-15/h5-6,8,16H,1-4H2,(H2,13,17).
What are the key properties of 2-chloro-6-(4-hydroxypiperidin-1-yl)pyridine-4-carboxamide?
2-chloro-6-(4-hydroxypiperidin-1-yl)pyridine-4-carboxamide has a molecular weight of 255.70 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-hydroxypiperidin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 86038381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).