4-propoxypyridine

C8H11NO — CID 14775663

IUPAC4-propoxypyridine
SMILESCCCOc1ccncc1
InChIInChI=1S/C8H11NO/c1-2-7-10-8-3-5-9-6-4-8/h3-6H,2,7H2,1H3
InChIKeyNZXXIBSFLIDCPE-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.87
Rot. Bonds3

About 4-propoxypyridine

4-propoxypyridine (PubChem CID 14775663) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 4-propoxypyridine.

Molecular Properties

Compound Name4-propoxypyridine
PubChem CID14775663
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name4-propoxypyridine
SMILESCCCOc1ccncc1
InChIInChI=1S/C8H11NO/c1-2-7-10-8-3-5-9-6-4-8/h3-6H,2,7H2,1H3
InChIKeyNZXXIBSFLIDCPE-UHFFFAOYSA-N
XLogP1.87
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-propoxypyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-propoxypyridine?
The IUPAC name of 4-propoxypyridine (CID 14775663) is 4-propoxypyridine.
What is the SMILES notation for 4-propoxypyridine?
The canonical SMILES for 4-propoxypyridine is CCCOc1ccncc1.
What is the InChIKey of 4-propoxypyridine?
The InChIKey is NZXXIBSFLIDCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-7-10-8-3-5-9-6-4-8/h3-6H,2,7H2,1H3.
What are the key properties of 4-propoxypyridine?
4-propoxypyridine has a molecular weight of 137.18 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxypyridine is sourced from PubChem (CID 14775663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).