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

C13H16FN3O2 — CID 105386364

IUPAC(2-amino-3-fluoro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESNc1nccc(C(=O)N2C3CCC2CC(O)C3)c1F
InChIInChI=1S/C13H16FN3O2/c14-11-10(3-4-16-12(11)15)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)
InChIKeyAHZSYPKZFPLITO-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.93
Rot. Bonds1

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

(2-amino-3-fluoro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 105386364) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is (2-amino-3-fluoro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-fluoro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID105386364
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name(2-amino-3-fluoro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESNc1nccc(C(=O)N2C3CCC2CC(O)C3)c1F
InChIInChI=1S/C13H16FN3O2/c14-11-10(3-4-16-12(11)15)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)
InChIKeyAHZSYPKZFPLITO-UHFFFAOYSA-N
XLogP0.93
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-fluoro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (2-amino-3-fluoro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 105386364) is (2-amino-3-fluoro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (2-amino-3-fluoro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (2-amino-3-fluoro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is Nc1nccc(C(=O)N2C3CCC2CC(O)C3)c1F.
What is the InChIKey of (2-amino-3-fluoro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is AHZSYPKZFPLITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c14-11-10(3-4-16-12(11)15)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 (2-amino-3-fluoro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(2-amino-3-fluoro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 265.29 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-fluoro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 105386364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).