(2-amino-6-chloro-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone

C11H14ClN3O2 — CID 55041722

IUPAC(2-amino-6-chloro-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESNc1cc(C(=O)N2CCCC(O)C2)cc(Cl)n1
InChIInChI=1S/C11H14ClN3O2/c12-9-4-7(5-10(13)14-9)11(17)15-3-1-2-8(16)6-15/h4-5,8,16H,1-3,6H2,(H2,13,14)
InChIKeyBVQTTXVXVXYRNT-UHFFFAOYSA-N
MW255.70 g/mol
LogP0.91
Rot. Bonds1

About (2-amino-6-chloro-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone

(2-amino-6-chloro-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 55041722) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is (2-amino-6-chloro-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-chloro-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
PubChem CID55041722
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name(2-amino-6-chloro-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESNc1cc(C(=O)N2CCCC(O)C2)cc(Cl)n1
InChIInChI=1S/C11H14ClN3O2/c12-9-4-7(5-10(13)14-9)11(17)15-3-1-2-8(16)6-15/h4-5,8,16H,1-3,6H2,(H2,13,14)
InChIKeyBVQTTXVXVXYRNT-UHFFFAOYSA-N
XLogP0.91
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-amino-6-chloro-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone 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-amino-6-chloro-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (2-amino-6-chloro-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone (CID 55041722) is (2-amino-6-chloro-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-6-chloro-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-6-chloro-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone is Nc1cc(C(=O)N2CCCC(O)C2)cc(Cl)n1.
What is the InChIKey of (2-amino-6-chloro-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is BVQTTXVXVXYRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-9-4-7(5-10(13)14-9)11(17)15-3-1-2-8(16)6-15/h4-5,8,16H,1-3,6H2,(H2,13,14).
What are the key properties of (2-amino-6-chloro-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone?
(2-amino-6-chloro-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 255.70 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-chloro-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 55041722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).