5-fluoro-3-methyl-2-propan-2-yloxypyridine

C9H12FNO — CID 130057948

IUPAC5-fluoro-3-methyl-2-propan-2-yloxypyridine
SMILESCc1cc(F)cnc1OC(C)C
InChIInChI=1S/C9H12FNO/c1-6(2)12-9-7(3)4-8(10)5-11-9/h4-6H,1-3H3
InChIKeyGVJCACNMTAINSD-UHFFFAOYSA-N
MW169.20 g/mol
LogP2.32
Rot. Bonds2

About 5-fluoro-3-methyl-2-propan-2-yloxypyridine

5-fluoro-3-methyl-2-propan-2-yloxypyridine (PubChem CID 130057948) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 5-fluoro-3-methyl-2-propan-2-yloxypyridine.

Molecular Properties

Compound Name5-fluoro-3-methyl-2-propan-2-yloxypyridine
PubChem CID130057948
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name5-fluoro-3-methyl-2-propan-2-yloxypyridine
SMILESCc1cc(F)cnc1OC(C)C
InChIInChI=1S/C9H12FNO/c1-6(2)12-9-7(3)4-8(10)5-11-9/h4-6H,1-3H3
InChIKeyGVJCACNMTAINSD-UHFFFAOYSA-N
XLogP2.32
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-3-methyl-2-propan-2-yloxypyridine 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 5-fluoro-3-methyl-2-propan-2-yloxypyridine?
The IUPAC name of 5-fluoro-3-methyl-2-propan-2-yloxypyridine (CID 130057948) is 5-fluoro-3-methyl-2-propan-2-yloxypyridine.
What is the SMILES notation for 5-fluoro-3-methyl-2-propan-2-yloxypyridine?
The canonical SMILES for 5-fluoro-3-methyl-2-propan-2-yloxypyridine is Cc1cc(F)cnc1OC(C)C.
What is the InChIKey of 5-fluoro-3-methyl-2-propan-2-yloxypyridine?
The InChIKey is GVJCACNMTAINSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-6(2)12-9-7(3)4-8(10)5-11-9/h4-6H,1-3H3.
What are the key properties of 5-fluoro-3-methyl-2-propan-2-yloxypyridine?
5-fluoro-3-methyl-2-propan-2-yloxypyridine has a molecular weight of 169.20 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-2-propan-2-yloxypyridine is sourced from PubChem (CID 130057948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).