3-[(4-cyclopropyl-2-fluorophenoxy)methyl]-2-propan-2-ylsulfanylpyridine

C18H20FNOS — CID 137497094

IUPAC3-[(4-cyclopropyl-2-fluorophenoxy)methyl]-2-propan-2-ylsulfanylpyridine
SMILESCC(C)Sc1ncccc1COc1ccc(C2CC2)cc1F
InChIInChI=1S/C18H20FNOS/c1-12(2)22-18-15(4-3-9-20-18)11-21-17-8-7-14(10-16(17)19)13-5-6-13/h3-4,7-10,12-13H,5-6,11H2,1-2H3
InChIKeyPAAVUTLGPYMLHW-UHFFFAOYSA-N
MW317.43 g/mol
LogP5.18
Rot. Bonds6

About 3-[(4-cyclopropyl-2-fluorophenoxy)methyl]-2-propan-2-ylsulfanylpyridine

3-[(4-cyclopropyl-2-fluorophenoxy)methyl]-2-propan-2-ylsulfanylpyridine (PubChem CID 137497094) has the molecular formula C18H20FNOS and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-[(4-cyclopropyl-2-fluorophenoxy)methyl]-2-propan-2-ylsulfanylpyridine.

Molecular Properties

Compound Name3-[(4-cyclopropyl-2-fluorophenoxy)methyl]-2-propan-2-ylsulfanylpyridine
PubChem CID137497094
Molecular FormulaC18H20FNOS
Molecular Weight317.43 g/mol
Exact Mass317.12
IUPAC Name3-[(4-cyclopropyl-2-fluorophenoxy)methyl]-2-propan-2-ylsulfanylpyridine
SMILESCC(C)Sc1ncccc1COc1ccc(C2CC2)cc1F
InChIInChI=1S/C18H20FNOS/c1-12(2)22-18-15(4-3-9-20-18)11-21-17-8-7-14(10-16(17)19)13-5-6-13/h3-4,7-10,12-13H,5-6,11H2,1-2H3
InChIKeyPAAVUTLGPYMLHW-UHFFFAOYSA-N
XLogP5.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(4-cyclopropyl-2-fluorophenoxy)methyl]-2-propan-2-ylsulfanylpyridine 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 3-[(4-cyclopropyl-2-fluorophenoxy)methyl]-2-propan-2-ylsulfanylpyridine?
The IUPAC name of 3-[(4-cyclopropyl-2-fluorophenoxy)methyl]-2-propan-2-ylsulfanylpyridine (CID 137497094) is 3-[(4-cyclopropyl-2-fluorophenoxy)methyl]-2-propan-2-ylsulfanylpyridine.
What is the SMILES notation for 3-[(4-cyclopropyl-2-fluorophenoxy)methyl]-2-propan-2-ylsulfanylpyridine?
The canonical SMILES for 3-[(4-cyclopropyl-2-fluorophenoxy)methyl]-2-propan-2-ylsulfanylpyridine is CC(C)Sc1ncccc1COc1ccc(C2CC2)cc1F.
What is the InChIKey of 3-[(4-cyclopropyl-2-fluorophenoxy)methyl]-2-propan-2-ylsulfanylpyridine?
The InChIKey is PAAVUTLGPYMLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNOS/c1-12(2)22-18-15(4-3-9-20-18)11-21-17-8-7-14(10-16(17)19)13-5-6-13/h3-4,7-10,12-13H,5-6,11H2,1-2H3.
What are the key properties of 3-[(4-cyclopropyl-2-fluorophenoxy)methyl]-2-propan-2-ylsulfanylpyridine?
3-[(4-cyclopropyl-2-fluorophenoxy)methyl]-2-propan-2-ylsulfanylpyridine has a molecular weight of 317.43 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopropyl-2-fluorophenoxy)methyl]-2-propan-2-ylsulfanylpyridine is sourced from PubChem (CID 137497094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).