6-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile

C13H15N3O — CID 129379431

IUPAC6-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2[C@H]3CC[C@H]2CC(O)C3)n1
InChIInChI=1S/C13H15N3O/c14-8-9-2-1-3-13(15-9)16-10-4-5-11(16)7-12(17)6-10/h1-3,10-12,17H,4-7H2/t10-,11-/m0/s1
InChIKeyZHKXWJDUBQKCQC-QWRGUYRKSA-N
MW229.28 g/mol
LogP1.45
Rot. Bonds1

About 6-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile

6-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile (PubChem CID 129379431) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile
PubChem CID129379431
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name6-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2[C@H]3CC[C@H]2CC(O)C3)n1
InChIInChI=1S/C13H15N3O/c14-8-9-2-1-3-13(15-9)16-10-4-5-11(16)7-12(17)6-10/h1-3,10-12,17H,4-7H2/t10-,11-/m0/s1
InChIKeyZHKXWJDUBQKCQC-QWRGUYRKSA-N
XLogP1.45
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile (CID 129379431) is 6-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile is N#Cc1cccc(N2[C@H]3CC[C@H]2CC(O)C3)n1.
What is the InChIKey of 6-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile?
The InChIKey is ZHKXWJDUBQKCQC-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H15N3O/c14-8-9-2-1-3-13(15-9)16-10-4-5-11(16)7-12(17)6-10/h1-3,10-12,17H,4-7H2/t10-,11-/m0/s1.
What are the key properties of 6-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile?
6-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile has a molecular weight of 229.28 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 129379431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).