3-tert-butyl-5-methoxypyridine

C10H15NO — CID 21031507

IUPAC3-tert-butyl-5-methoxypyridine
SMILESCOc1cncc(C(C)(C)C)c1
InChIInChI=1S/C10H15NO/c1-10(2,3)8-5-9(12-4)7-11-6-8/h5-7H,1-4H3
InChIKeyMMCQMOJHUHBSSA-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.39
Rot. Bonds1

About 3-tert-butyl-5-methoxypyridine

3-tert-butyl-5-methoxypyridine (PubChem CID 21031507) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-tert-butyl-5-methoxypyridine.

Molecular Properties

Compound Name3-tert-butyl-5-methoxypyridine
PubChem CID21031507
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-tert-butyl-5-methoxypyridine
SMILESCOc1cncc(C(C)(C)C)c1
InChIInChI=1S/C10H15NO/c1-10(2,3)8-5-9(12-4)7-11-6-8/h5-7H,1-4H3
InChIKeyMMCQMOJHUHBSSA-UHFFFAOYSA-N
XLogP2.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.39
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-methoxypyridine?
The IUPAC name of 3-tert-butyl-5-methoxypyridine (CID 21031507) is 3-tert-butyl-5-methoxypyridine.
What is the SMILES notation for 3-tert-butyl-5-methoxypyridine?
The canonical SMILES for 3-tert-butyl-5-methoxypyridine is COc1cncc(C(C)(C)C)c1.
What is the InChIKey of 3-tert-butyl-5-methoxypyridine?
The InChIKey is MMCQMOJHUHBSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-10(2,3)8-5-9(12-4)7-11-6-8/h5-7H,1-4H3.
What are the key properties of 3-tert-butyl-5-methoxypyridine?
3-tert-butyl-5-methoxypyridine has a molecular weight of 165.24 g/mol, XLogP of 2.39, 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-methoxypyridine is sourced from PubChem (CID 21031507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).