3-tert-butyl-5-methoxy-2-methylpyridine

C11H17NO — CID 166004066

IUPAC3-tert-butyl-5-methoxy-2-methylpyridine
SMILESCOc1cnc(C)c(C(C)(C)C)c1
InChIInChI=1S/C11H17NO/c1-8-10(11(2,3)4)6-9(13-5)7-12-8/h6-7H,1-5H3
InChIKeyRTVWLGOSCIRCJP-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.70
Rot. Bonds1

About 3-tert-butyl-5-methoxy-2-methylpyridine

3-tert-butyl-5-methoxy-2-methylpyridine (PubChem CID 166004066) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-tert-butyl-5-methoxy-2-methylpyridine.

Molecular Properties

Compound Name3-tert-butyl-5-methoxy-2-methylpyridine
PubChem CID166004066
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-tert-butyl-5-methoxy-2-methylpyridine
SMILESCOc1cnc(C)c(C(C)(C)C)c1
InChIInChI=1S/C11H17NO/c1-8-10(11(2,3)4)6-9(13-5)7-12-8/h6-7H,1-5H3
InChIKeyRTVWLGOSCIRCJP-UHFFFAOYSA-N
XLogP2.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methoxy-2-methylpyridine?
The IUPAC name of 3-tert-butyl-5-methoxy-2-methylpyridine (CID 166004066) is 3-tert-butyl-5-methoxy-2-methylpyridine.
What is the SMILES notation for 3-tert-butyl-5-methoxy-2-methylpyridine?
The canonical SMILES for 3-tert-butyl-5-methoxy-2-methylpyridine is COc1cnc(C)c(C(C)(C)C)c1.
What is the InChIKey of 3-tert-butyl-5-methoxy-2-methylpyridine?
The InChIKey is RTVWLGOSCIRCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-10(11(2,3)4)6-9(13-5)7-12-8/h6-7H,1-5H3.
What are the key properties of 3-tert-butyl-5-methoxy-2-methylpyridine?
3-tert-butyl-5-methoxy-2-methylpyridine has a molecular weight of 179.26 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methoxy-2-methylpyridine is sourced from PubChem (CID 166004066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).