3,5-dimethoxy-4-propan-2-ylpyridine

C10H15NO2 — CID 146509481

IUPAC3,5-dimethoxy-4-propan-2-ylpyridine
SMILESCOc1cncc(OC)c1C(C)C
InChIInChI=1S/C10H15NO2/c1-7(2)10-8(12-3)5-11-6-9(10)13-4/h5-7H,1-4H3
InChIKeyBBJSRFLOCWAKEC-UHFFFAOYSA-N
MW181.24 g/mol
LogP2.22
Rot. Bonds3

About 3,5-dimethoxy-4-propan-2-ylpyridine

3,5-dimethoxy-4-propan-2-ylpyridine (PubChem CID 146509481) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 3,5-dimethoxy-4-propan-2-ylpyridine.

Molecular Properties

Compound Name3,5-dimethoxy-4-propan-2-ylpyridine
PubChem CID146509481
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name3,5-dimethoxy-4-propan-2-ylpyridine
SMILESCOc1cncc(OC)c1C(C)C
InChIInChI=1S/C10H15NO2/c1-7(2)10-8(12-3)5-11-6-9(10)13-4/h5-7H,1-4H3
InChIKeyBBJSRFLOCWAKEC-UHFFFAOYSA-N
XLogP2.22
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-propan-2-ylpyridine?
The IUPAC name of 3,5-dimethoxy-4-propan-2-ylpyridine (CID 146509481) is 3,5-dimethoxy-4-propan-2-ylpyridine.
What is the SMILES notation for 3,5-dimethoxy-4-propan-2-ylpyridine?
The canonical SMILES for 3,5-dimethoxy-4-propan-2-ylpyridine is COc1cncc(OC)c1C(C)C.
What is the InChIKey of 3,5-dimethoxy-4-propan-2-ylpyridine?
The InChIKey is BBJSRFLOCWAKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(2)10-8(12-3)5-11-6-9(10)13-4/h5-7H,1-4H3.
What are the key properties of 3,5-dimethoxy-4-propan-2-ylpyridine?
3,5-dimethoxy-4-propan-2-ylpyridine has a molecular weight of 181.24 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-propan-2-ylpyridine is sourced from PubChem (CID 146509481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).