2-(3,3-dimethylbutoxy)pyridine-3-carbonitrile

C12H16N2O — CID 66231573

IUPAC2-(3,3-dimethylbutoxy)pyridine-3-carbonitrile
SMILESCC(C)(C)CCOc1ncccc1C#N
InChIInChI=1S/C12H16N2O/c1-12(2,3)6-8-15-11-10(9-13)5-4-7-14-11/h4-5,7H,6,8H2,1-3H3
InChIKeyJWDCMCDFBSVCSF-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.77
Rot. Bonds3

About 2-(3,3-dimethylbutoxy)pyridine-3-carbonitrile

2-(3,3-dimethylbutoxy)pyridine-3-carbonitrile (PubChem CID 66231573) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(3,3-dimethylbutoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3,3-dimethylbutoxy)pyridine-3-carbonitrile
PubChem CID66231573
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(3,3-dimethylbutoxy)pyridine-3-carbonitrile
SMILESCC(C)(C)CCOc1ncccc1C#N
InChIInChI=1S/C12H16N2O/c1-12(2,3)6-8-15-11-10(9-13)5-4-7-14-11/h4-5,7H,6,8H2,1-3H3
InChIKeyJWDCMCDFBSVCSF-UHFFFAOYSA-N
XLogP2.77
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile
CID 54400483
2-(2-amino-2-methylpropoxy)pyridine-3-carbonitrile
CID 64538428
2-hexoxypyridine-3-carbonitrile
CID 29001326
2-(2-butoxyethoxy)pyridine-3-carbonitrile
CID 29001144
3-(chloromethyl)-2-(3,3-dimethylbutoxy)pyridine
CID 66224234
2-phenylmethoxypyridine-3-carbonitrile
CID 12604511
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbonitrile
CID 103174665
N-[[2-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]ethanamine
CID 66226371
2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine-3-carbonitrile
CID 167152493
ethyl 2-[(3-cyano-2-pyridinyl)oxy]acetate
CID 134128969
2-(2-pyridin-3-ylpropan-2-yloxy)pyridine-3-carbonitrile
CID 117096489
2-(2,3-dihydroxypropoxy)pyridine-3-carbonitrile
CID 12529033

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutoxy)pyridine-3-carbonitrile?
The IUPAC name of 2-(3,3-dimethylbutoxy)pyridine-3-carbonitrile (CID 66231573) is 2-(3,3-dimethylbutoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3,3-dimethylbutoxy)pyridine-3-carbonitrile?
The canonical SMILES for 2-(3,3-dimethylbutoxy)pyridine-3-carbonitrile is CC(C)(C)CCOc1ncccc1C#N.
What is the InChIKey of 2-(3,3-dimethylbutoxy)pyridine-3-carbonitrile?
The InChIKey is JWDCMCDFBSVCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-12(2,3)6-8-15-11-10(9-13)5-4-7-14-11/h4-5,7H,6,8H2,1-3H3.
What are the key properties of 2-(3,3-dimethylbutoxy)pyridine-3-carbonitrile?
2-(3,3-dimethylbutoxy)pyridine-3-carbonitrile has a molecular weight of 204.27 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 66231573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).