tert-butyl 2-methoxy-6-methylpyridine-4-carboxylate

C12H17NO3 — CID 133059070

IUPACtert-butyl 2-methoxy-6-methylpyridine-4-carboxylate
SMILESCOc1cc(C(=O)OC(C)(C)C)cc(C)n1
InChIInChI=1S/C12H17NO3/c1-8-6-9(7-10(13-8)15-5)11(14)16-12(2,3)4/h6-7H,1-5H3
InChIKeyLZOFYMBVKVTSTI-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.35
Rot. Bonds2

About tert-butyl 2-methoxy-6-methylpyridine-4-carboxylate

tert-butyl 2-methoxy-6-methylpyridine-4-carboxylate (PubChem CID 133059070) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is tert-butyl 2-methoxy-6-methylpyridine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methoxy-6-methylpyridine-4-carboxylate
PubChem CID133059070
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nametert-butyl 2-methoxy-6-methylpyridine-4-carboxylate
SMILESCOc1cc(C(=O)OC(C)(C)C)cc(C)n1
InChIInChI=1S/C12H17NO3/c1-8-6-9(7-10(13-8)15-5)11(14)16-12(2,3)4/h6-7H,1-5H3
InChIKeyLZOFYMBVKVTSTI-UHFFFAOYSA-N
XLogP2.35
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methoxy-6-methylpyridine-4-carboxylate?
The IUPAC name of tert-butyl 2-methoxy-6-methylpyridine-4-carboxylate (CID 133059070) is tert-butyl 2-methoxy-6-methylpyridine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-methoxy-6-methylpyridine-4-carboxylate?
The canonical SMILES for tert-butyl 2-methoxy-6-methylpyridine-4-carboxylate is COc1cc(C(=O)OC(C)(C)C)cc(C)n1.
What is the InChIKey of tert-butyl 2-methoxy-6-methylpyridine-4-carboxylate?
The InChIKey is LZOFYMBVKVTSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-6-9(7-10(13-8)15-5)11(14)16-12(2,3)4/h6-7H,1-5H3.
What are the key properties of tert-butyl 2-methoxy-6-methylpyridine-4-carboxylate?
tert-butyl 2-methoxy-6-methylpyridine-4-carboxylate has a molecular weight of 223.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methoxy-6-methylpyridine-4-carboxylate is sourced from PubChem (CID 133059070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).