2,3,6-trimethoxypyridine

C8H11NO3 — CID 71299130

IUPAC2,3,6-trimethoxypyridine
SMILESCOc1ccc(OC)c(OC)n1
InChIInChI=1S/C8H11NO3/c1-10-6-4-5-7(11-2)9-8(6)12-3/h4-5H,1-3H3
InChIKeyFIDKPTFJOFOUTP-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.11
Rot. Bonds3

About 2,3,6-trimethoxypyridine

2,3,6-trimethoxypyridine (PubChem CID 71299130) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2,3,6-trimethoxypyridine.

Molecular Properties

Compound Name2,3,6-trimethoxypyridine
PubChem CID71299130
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2,3,6-trimethoxypyridine
SMILESCOc1ccc(OC)c(OC)n1
InChIInChI=1S/C8H11NO3/c1-10-6-4-5-7(11-2)9-8(6)12-3/h4-5H,1-3H3
InChIKeyFIDKPTFJOFOUTP-UHFFFAOYSA-N
XLogP1.11
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethoxypyridine?
The IUPAC name of 2,3,6-trimethoxypyridine (CID 71299130) is 2,3,6-trimethoxypyridine.
What is the SMILES notation for 2,3,6-trimethoxypyridine?
The canonical SMILES for 2,3,6-trimethoxypyridine is COc1ccc(OC)c(OC)n1.
What is the InChIKey of 2,3,6-trimethoxypyridine?
The InChIKey is FIDKPTFJOFOUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-10-6-4-5-7(11-2)9-8(6)12-3/h4-5H,1-3H3.
What are the key properties of 2,3,6-trimethoxypyridine?
2,3,6-trimethoxypyridine has a molecular weight of 169.18 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethoxypyridine is sourced from PubChem (CID 71299130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).