(2-amino-6-chloro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C13H16ClN3O2 — CID 63768980

IUPAC(2-amino-6-chloro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESNc1cc(C(=O)N2C3CCC2CC(O)C3)cc(Cl)n1
InChIInChI=1S/C13H16ClN3O2/c14-11-3-7(4-12(15)16-11)13(19)17-8-1-2-9(17)6-10(18)5-8/h3-4,8-10,18H,1-2,5-6H2,(H2,15,16)
InChIKeyJQVKOLFUYQRDDQ-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.45
Rot. Bonds1

About (2-amino-6-chloro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

(2-amino-6-chloro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 63768980) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is (2-amino-6-chloro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-chloro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID63768980
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name(2-amino-6-chloro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESNc1cc(C(=O)N2C3CCC2CC(O)C3)cc(Cl)n1
InChIInChI=1S/C13H16ClN3O2/c14-11-3-7(4-12(15)16-11)13(19)17-8-1-2-9(17)6-10(18)5-8/h3-4,8-10,18H,1-2,5-6H2,(H2,15,16)
InChIKeyJQVKOLFUYQRDDQ-UHFFFAOYSA-N
XLogP1.45
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.45
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-amino-6-chloro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (2-amino-6-chloro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 63768980) is (2-amino-6-chloro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (2-amino-6-chloro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (2-amino-6-chloro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is Nc1cc(C(=O)N2C3CCC2CC(O)C3)cc(Cl)n1.
What is the InChIKey of (2-amino-6-chloro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is JQVKOLFUYQRDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-11-3-7(4-12(15)16-11)13(19)17-8-1-2-9(17)6-10(18)5-8/h3-4,8-10,18H,1-2,5-6H2,(H2,15,16).
What are the key properties of (2-amino-6-chloro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(2-amino-6-chloro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 281.74 g/mol, XLogP of 1.45, 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-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 63768980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).