tert-butyl 2,6-dimethyl-2H-pyridine-1-carboxylate

C12H19NO2 — CID 67289279

IUPACtert-butyl 2,6-dimethyl-2H-pyridine-1-carboxylate
SMILESCC1=CC=CC(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C12H19NO2/c1-9-7-6-8-10(2)13(9)11(14)15-12(3,4)5/h6-9H,1-5H3
InChIKeyFICGRJWGOYNOFL-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.09
Rot. Bonds

About tert-butyl 2,6-dimethyl-2H-pyridine-1-carboxylate

tert-butyl 2,6-dimethyl-2H-pyridine-1-carboxylate (PubChem CID 67289279) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is tert-butyl 2,6-dimethyl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,6-dimethyl-2H-pyridine-1-carboxylate
PubChem CID67289279
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nametert-butyl 2,6-dimethyl-2H-pyridine-1-carboxylate
SMILESCC1=CC=CC(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C12H19NO2/c1-9-7-6-8-10(2)13(9)11(14)15-12(3,4)5/h6-9H,1-5H3
InChIKeyFICGRJWGOYNOFL-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,6-dimethyl-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 2,6-dimethyl-2H-pyridine-1-carboxylate (CID 67289279) is tert-butyl 2,6-dimethyl-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 2,6-dimethyl-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 2,6-dimethyl-2H-pyridine-1-carboxylate is CC1=CC=CC(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2,6-dimethyl-2H-pyridine-1-carboxylate?
The InChIKey is FICGRJWGOYNOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9-7-6-8-10(2)13(9)11(14)15-12(3,4)5/h6-9H,1-5H3.
What are the key properties of tert-butyl 2,6-dimethyl-2H-pyridine-1-carboxylate?
tert-butyl 2,6-dimethyl-2H-pyridine-1-carboxylate has a molecular weight of 209.29 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,6-dimethyl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 67289279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).