2-methyl-3-(pyridin-4-ylmethoxy)propanenitrile

C10H12N2O — CID 142227918

IUPAC2-methyl-3-(pyridin-4-ylmethoxy)propanenitrile
SMILESCC(C#N)COCc1ccncc1
InChIInChI=1S/C10H12N2O/c1-9(6-11)7-13-8-10-2-4-12-5-3-10/h2-5,9H,7-8H2,1H3
InChIKeyNOLNLNFDOATWAN-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.76
Rot. Bonds4

About 2-methyl-3-(pyridin-4-ylmethoxy)propanenitrile

2-methyl-3-(pyridin-4-ylmethoxy)propanenitrile (PubChem CID 142227918) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-methyl-3-(pyridin-4-ylmethoxy)propanenitrile.

Molecular Properties

Compound Name2-methyl-3-(pyridin-4-ylmethoxy)propanenitrile
PubChem CID142227918
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-methyl-3-(pyridin-4-ylmethoxy)propanenitrile
SMILESCC(C#N)COCc1ccncc1
InChIInChI=1S/C10H12N2O/c1-9(6-11)7-13-8-10-2-4-12-5-3-10/h2-5,9H,7-8H2,1H3
InChIKeyNOLNLNFDOATWAN-UHFFFAOYSA-N
XLogP1.76
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(propan-2-yloxymethyl)pyridine
CID 14442204
3-(furan-2-ylmethoxy)-2-methylpropanenitrile
CID 43367411
4-[3-(pyridin-4-ylmethoxy)propoxymethyl]pyridine
CID 59757640
2-methyl-3-(2-pyridin-2-ylethoxy)propanenitrile
CID 43174893
propan-2-yl 2-(pyridin-4-ylmethoxy)acetate
CID 83213799
N-methyl-N-[2-(pyridin-4-ylmethoxy)ethyl]but-3-yn-2-amine
CID 175220435
(3R)-3-methyl-4-phenylmethoxybutanenitrile
CID 69233531
4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine
CID 23399976
2-methyl-1-(pyridin-4-ylmethoxy)propan-2-ol
CID 143482158
(1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30072177
trimethyl(pyridin-4-ylmethoxy)silane
CID 45117506
4-(dodecoxymethyl)pyridine
CID 175554630

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(pyridin-4-ylmethoxy)propanenitrile?
The IUPAC name of 2-methyl-3-(pyridin-4-ylmethoxy)propanenitrile (CID 142227918) is 2-methyl-3-(pyridin-4-ylmethoxy)propanenitrile.
What is the SMILES notation for 2-methyl-3-(pyridin-4-ylmethoxy)propanenitrile?
The canonical SMILES for 2-methyl-3-(pyridin-4-ylmethoxy)propanenitrile is CC(C#N)COCc1ccncc1.
What is the InChIKey of 2-methyl-3-(pyridin-4-ylmethoxy)propanenitrile?
The InChIKey is NOLNLNFDOATWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-9(6-11)7-13-8-10-2-4-12-5-3-10/h2-5,9H,7-8H2,1H3.
What are the key properties of 2-methyl-3-(pyridin-4-ylmethoxy)propanenitrile?
2-methyl-3-(pyridin-4-ylmethoxy)propanenitrile has a molecular weight of 176.22 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(pyridin-4-ylmethoxy)propanenitrile is sourced from PubChem (CID 142227918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).