6-tert-butyl-4-methoxypyridine-3-carbonitrile

C11H14N2O — CID 82403915

IUPAC6-tert-butyl-4-methoxypyridine-3-carbonitrile
SMILESCOc1cc(C(C)(C)C)ncc1C#N
InChIInChI=1S/C11H14N2O/c1-11(2,3)10-5-9(14-4)8(6-12)7-13-10/h5,7H,1-4H3
InChIKeyHLTJSEBPLUVDGC-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.26
Rot. Bonds1

About 6-tert-butyl-4-methoxypyridine-3-carbonitrile

6-tert-butyl-4-methoxypyridine-3-carbonitrile (PubChem CID 82403915) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 6-tert-butyl-4-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-tert-butyl-4-methoxypyridine-3-carbonitrile
PubChem CID82403915
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name6-tert-butyl-4-methoxypyridine-3-carbonitrile
SMILESCOc1cc(C(C)(C)C)ncc1C#N
InChIInChI=1S/C11H14N2O/c1-11(2,3)10-5-9(14-4)8(6-12)7-13-10/h5,7H,1-4H3
InChIKeyHLTJSEBPLUVDGC-UHFFFAOYSA-N
XLogP2.26
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-methoxypyridine-3-carbonitrile?
The IUPAC name of 6-tert-butyl-4-methoxypyridine-3-carbonitrile (CID 82403915) is 6-tert-butyl-4-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 6-tert-butyl-4-methoxypyridine-3-carbonitrile?
The canonical SMILES for 6-tert-butyl-4-methoxypyridine-3-carbonitrile is COc1cc(C(C)(C)C)ncc1C#N.
What is the InChIKey of 6-tert-butyl-4-methoxypyridine-3-carbonitrile?
The InChIKey is HLTJSEBPLUVDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-11(2,3)10-5-9(14-4)8(6-12)7-13-10/h5,7H,1-4H3.
What are the key properties of 6-tert-butyl-4-methoxypyridine-3-carbonitrile?
6-tert-butyl-4-methoxypyridine-3-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 82403915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).