3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile

C11H14N2O — CID 62919079

IUPAC3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile
SMILESCC(C)(C)OCc1cccnc1C#N
InChIInChI=1S/C11H14N2O/c1-11(2,3)14-8-9-5-4-6-13-10(9)7-12/h4-6H,8H2,1-3H3
InChIKeyPCJOWYSHLOXCNR-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.27
Rot. Bonds2

About 3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile

3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile (PubChem CID 62919079) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile
PubChem CID62919079
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile
SMILESCC(C)(C)OCc1cccnc1C#N
InChIInChI=1S/C11H14N2O/c1-11(2,3)14-8-9-5-4-6-13-10(9)7-12/h4-6H,8H2,1-3H3
InChIKeyPCJOWYSHLOXCNR-UHFFFAOYSA-N
XLogP2.27
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile
CID 112587633
3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile
CID 62920098
tert-butyl 2-(2-cyano-3-pyridinyl)acetate
CID 135394891
2-chloro-3-[(2-methylpropan-2-yl)oxymethyl]pyridine
CID 62470687
2-[(2-methylpropan-2-yl)oxymethyl]benzonitrile
CID 29001545
3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 10036717
3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 62889971
3-[2-(2-methylpropoxy)ethoxymethyl]pyridine-2-carbonitrile
CID 106447603
3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile
CID 62894480
3-(bromomethyl)pyridine-2-carbonitrile;hydrobromide
CID 121231605
3-(2-oxopropyl)pyridine-2-carbonitrile
CID 69171955
3-[(3-hydroxynaphthalen-2-yl)oxymethyl]pyridine-2-carbonitrile
CID 62894437

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile (CID 62919079) is 3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile is CC(C)(C)OCc1cccnc1C#N.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile?
The InChIKey is PCJOWYSHLOXCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-11(2,3)14-8-9-5-4-6-13-10(9)7-12/h4-6H,8H2,1-3H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile?
3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62919079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).