2-tert-butyl-3-methoxy-6-propan-2-ylpyridine

C13H21NO — CID 59135220

IUPAC2-tert-butyl-3-methoxy-6-propan-2-ylpyridine
SMILESCOc1ccc(C(C)C)nc1C(C)(C)C
InChIInChI=1S/C13H21NO/c1-9(2)10-7-8-11(15-6)12(14-10)13(3,4)5/h7-9H,1-6H3
InChIKeyFXLAAUGSDZCPTG-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.51
Rot. Bonds2

About 2-tert-butyl-3-methoxy-6-propan-2-ylpyridine

2-tert-butyl-3-methoxy-6-propan-2-ylpyridine (PubChem CID 59135220) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-tert-butyl-3-methoxy-6-propan-2-ylpyridine.

Molecular Properties

Compound Name2-tert-butyl-3-methoxy-6-propan-2-ylpyridine
PubChem CID59135220
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-tert-butyl-3-methoxy-6-propan-2-ylpyridine
SMILESCOc1ccc(C(C)C)nc1C(C)(C)C
InChIInChI=1S/C13H21NO/c1-9(2)10-7-8-11(15-6)12(14-10)13(3,4)5/h7-9H,1-6H3
InChIKeyFXLAAUGSDZCPTG-UHFFFAOYSA-N
XLogP3.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-methoxy-6-propan-2-ylpyridine?
The IUPAC name of 2-tert-butyl-3-methoxy-6-propan-2-ylpyridine (CID 59135220) is 2-tert-butyl-3-methoxy-6-propan-2-ylpyridine.
What is the SMILES notation for 2-tert-butyl-3-methoxy-6-propan-2-ylpyridine?
The canonical SMILES for 2-tert-butyl-3-methoxy-6-propan-2-ylpyridine is COc1ccc(C(C)C)nc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-methoxy-6-propan-2-ylpyridine?
The InChIKey is FXLAAUGSDZCPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)10-7-8-11(15-6)12(14-10)13(3,4)5/h7-9H,1-6H3.
What are the key properties of 2-tert-butyl-3-methoxy-6-propan-2-ylpyridine?
2-tert-butyl-3-methoxy-6-propan-2-ylpyridine has a molecular weight of 207.32 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methoxy-6-propan-2-ylpyridine is sourced from PubChem (CID 59135220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).