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

C13H16ClN3O2 — CID 63768979

IUPAC(6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESNc1ccc(Cl)c(C(=O)N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C13H16ClN3O2/c14-10-3-4-11(15)16-12(10)13(19)17-7-1-2-8(17)6-9(18)5-7/h3-4,7-9,18H,1-2,5-6H2,(H2,15,16)
InChIKeyLBYIQSBQJYAOEH-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.45
Rot. Bonds1

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

(6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 63768979) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is (6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID63768979
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name(6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESNc1ccc(Cl)c(C(=O)N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C13H16ClN3O2/c14-10-3-4-11(15)16-12(10)13(19)17-7-1-2-8(17)6-9(18)5-7/h3-4,7-9,18H,1-2,5-6H2,(H2,15,16)
InChIKeyLBYIQSBQJYAOEH-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

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Frequently Asked Questions

What is the IUPAC name of (6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 63768979) is (6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is Nc1ccc(Cl)c(C(=O)N2C3CCC2CC(O)C3)n1.
What is the InChIKey of (6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is LBYIQSBQJYAOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-10-3-4-11(15)16-12(10)13(19)17-7-1-2-8(17)6-9(18)5-7/h3-4,7-9,18H,1-2,5-6H2,(H2,15,16).
What are the key properties of (6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(6-amino-3-chloro-2-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 (6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 63768979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).