2-[hydroxy(pyridin-2-yl)methyl]-2-methylbutanenitrile

C11H14N2O — CID 79137493

IUPAC2-[hydroxy(pyridin-2-yl)methyl]-2-methylbutanenitrile
SMILESCCC(C)(C#N)C(O)c1ccccn1
InChIInChI=1S/C11H14N2O/c1-3-11(2,8-12)10(14)9-6-4-5-7-13-9/h4-7,10,14H,3H2,1-2H3
InChIKeyJQHHIXLERKPMCE-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.05
Rot. Bonds3

About 2-[hydroxy(pyridin-2-yl)methyl]-2-methylbutanenitrile

2-[hydroxy(pyridin-2-yl)methyl]-2-methylbutanenitrile (PubChem CID 79137493) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-[hydroxy(pyridin-2-yl)methyl]-2-methylbutanenitrile.

Molecular Properties

Compound Name2-[hydroxy(pyridin-2-yl)methyl]-2-methylbutanenitrile
PubChem CID79137493
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-[hydroxy(pyridin-2-yl)methyl]-2-methylbutanenitrile
SMILESCCC(C)(C#N)C(O)c1ccccn1
InChIInChI=1S/C11H14N2O/c1-3-11(2,8-12)10(14)9-6-4-5-7-13-9/h4-7,10,14H,3H2,1-2H3
InChIKeyJQHHIXLERKPMCE-UHFFFAOYSA-N
XLogP2.05
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trichloro-1-pyridin-2-ylethanol
CID 3066911
2-[hydroxy(quinolin-6-yl)methyl]-2-methylbutanenitrile
CID 79133168
2-pyridin-2-ylbutanenitrile
CID 12520509
N-[cyano(pyridin-2-yl)methyl]-2,2-dimethylpropanamide
CID 82113909
2-[(2-ethylpyrazol-3-yl)-hydroxymethyl]-2-methylbutanenitrile
CID 114558131
2-[(2-tert-butyl-1,3-thiazol-4-yl)-hydroxymethyl]-2-methylbutanenitrile
CID 113472551
2-[hydroxy-(3-phenoxyphenyl)methyl]-2-methylbutanenitrile
CID 79124896
3-pyridin-2-ylheptanenitrile
CID 70542151
2-[hydroxy(pyridin-2-yl)methyl]prop-2-enenitrile
CID 11446496
5-methyl-1-pyridin-2-ylhexan-1-ol
CID 83158842
2-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-2-methylbutanenitrile
CID 79133121
2-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanenitrile
CID 130654068

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(pyridin-2-yl)methyl]-2-methylbutanenitrile?
The IUPAC name of 2-[hydroxy(pyridin-2-yl)methyl]-2-methylbutanenitrile (CID 79137493) is 2-[hydroxy(pyridin-2-yl)methyl]-2-methylbutanenitrile.
What is the SMILES notation for 2-[hydroxy(pyridin-2-yl)methyl]-2-methylbutanenitrile?
The canonical SMILES for 2-[hydroxy(pyridin-2-yl)methyl]-2-methylbutanenitrile is CCC(C)(C#N)C(O)c1ccccn1.
What is the InChIKey of 2-[hydroxy(pyridin-2-yl)methyl]-2-methylbutanenitrile?
The InChIKey is JQHHIXLERKPMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-11(2,8-12)10(14)9-6-4-5-7-13-9/h4-7,10,14H,3H2,1-2H3.
What are the key properties of 2-[hydroxy(pyridin-2-yl)methyl]-2-methylbutanenitrile?
2-[hydroxy(pyridin-2-yl)methyl]-2-methylbutanenitrile has a molecular weight of 190.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(pyridin-2-yl)methyl]-2-methylbutanenitrile is sourced from PubChem (CID 79137493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).