2,3-dimethoxypyridine

C7H9NO2 — CID 4657809

IUPAC2,3-dimethoxypyridine
SMILESCOc1cccnc1OC
InChIInChI=1S/C7H9NO2/c1-9-6-4-3-5-8-7(6)10-2/h3-5H,1-2H3
InChIKeyQHUHPERZCBUMRK-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.10
Rot. Bonds2

About 2,3-dimethoxypyridine

2,3-dimethoxypyridine (PubChem CID 4657809) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 2,3-dimethoxypyridine.

Molecular Properties

Compound Name2,3-dimethoxypyridine
PubChem CID4657809
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name2,3-dimethoxypyridine
SMILESCOc1cccnc1OC
InChIInChI=1S/C7H9NO2/c1-9-6-4-3-5-8-7(6)10-2/h3-5H,1-2H3
InChIKeyQHUHPERZCBUMRK-UHFFFAOYSA-N
XLogP1.10
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxypyridine?
The IUPAC name of 2,3-dimethoxypyridine (CID 4657809) is 2,3-dimethoxypyridine.
What is the SMILES notation for 2,3-dimethoxypyridine?
The canonical SMILES for 2,3-dimethoxypyridine is COc1cccnc1OC.
What is the InChIKey of 2,3-dimethoxypyridine?
The InChIKey is QHUHPERZCBUMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-9-6-4-3-5-8-7(6)10-2/h3-5H,1-2H3.
What are the key properties of 2,3-dimethoxypyridine?
2,3-dimethoxypyridine has a molecular weight of 139.15 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxypyridine is sourced from PubChem (CID 4657809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).