6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile

C13H15N3O — CID 63770111

IUPAC6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2C3CCC2CC(O)C3)nc1
InChIInChI=1S/C13H15N3O/c14-7-9-1-4-13(15-8-9)16-10-2-3-11(16)6-12(17)5-10/h1,4,8,10-12,17H,2-3,5-6H2
InChIKeyKIRPZLROQYTJLQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.45
Rot. Bonds1

About 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile

6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile (PubChem CID 63770111) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile
PubChem CID63770111
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2C3CCC2CC(O)C3)nc1
InChIInChI=1S/C13H15N3O/c14-7-9-1-4-13(15-8-9)16-10-2-3-11(16)6-12(17)5-10/h1,4,8,10-12,17H,2-3,5-6H2
InChIKeyKIRPZLROQYTJLQ-UHFFFAOYSA-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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Related Compounds

6-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carbonitrile
CID 129379431
3-(5-cyano-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 170168129
6-(4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-11-yl)pyridine-3-carbonitrile
CID 126837816
6-[3-(4-methylpyrimidin-2-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]pyridine-3-carbonitrile
CID 172882692
(5R)-8-(5-ethynyl-2-pyridinyl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 88534605
8-(5-ethynyl-2-pyridinyl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 88534435
4-[3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propoxy]benzonitrile
CID 63763441
6-(2,5-dioxopyrrolidin-1-yl)pyridine-3-carbonitrile
CID 71813200
6-[(5S)-3-[3-[(1S)-1-phenylethoxy]propanoyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile
CID 167423631
6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carbonitrile
CID 102780806
5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylic acid
CID 107372450
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile (CID 63770111) is 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile is N#Cc1ccc(N2C3CCC2CC(O)C3)nc1.
What is the InChIKey of 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile?
The InChIKey is KIRPZLROQYTJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-7-9-1-4-13(15-8-9)16-10-2-3-11(16)6-12(17)5-10/h1,4,8,10-12,17H,2-3,5-6H2.
What are the key properties of 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile?
6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-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-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 63770111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).