3-hydroxy-3-pyridin-3-ylpropanenitrile

C8H8N2O — CID 11275096

IUPAC3-hydroxy-3-pyridin-3-ylpropanenitrile
SMILESN#CCC(O)c1cccnc1
InChIInChI=1S/C8H8N2O/c9-4-3-8(11)7-2-1-5-10-6-7/h1-2,5-6,8,11H,3H2
InChIKeyIQSUQNWWGUZNBY-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.03
Rot. Bonds2

About 3-hydroxy-3-pyridin-3-ylpropanenitrile

3-hydroxy-3-pyridin-3-ylpropanenitrile (PubChem CID 11275096) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 3-hydroxy-3-pyridin-3-ylpropanenitrile.

Molecular Properties

Compound Name3-hydroxy-3-pyridin-3-ylpropanenitrile
PubChem CID11275096
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name3-hydroxy-3-pyridin-3-ylpropanenitrile
SMILESN#CCC(O)c1cccnc1
InChIInChI=1S/C8H8N2O/c9-4-3-8(11)7-2-1-5-10-6-7/h1-2,5-6,8,11H,3H2
InChIKeyIQSUQNWWGUZNBY-UHFFFAOYSA-N
XLogP1.03
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-pyridin-3-ylpropanenitrile?
The IUPAC name of 3-hydroxy-3-pyridin-3-ylpropanenitrile (CID 11275096) is 3-hydroxy-3-pyridin-3-ylpropanenitrile.
What is the SMILES notation for 3-hydroxy-3-pyridin-3-ylpropanenitrile?
The canonical SMILES for 3-hydroxy-3-pyridin-3-ylpropanenitrile is N#CCC(O)c1cccnc1.
What is the InChIKey of 3-hydroxy-3-pyridin-3-ylpropanenitrile?
The InChIKey is IQSUQNWWGUZNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c9-4-3-8(11)7-2-1-5-10-6-7/h1-2,5-6,8,11H,3H2.
What are the key properties of 3-hydroxy-3-pyridin-3-ylpropanenitrile?
3-hydroxy-3-pyridin-3-ylpropanenitrile has a molecular weight of 148.16 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-pyridin-3-ylpropanenitrile is sourced from PubChem (CID 11275096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).