5-chloro-4-fluoro-3-propan-2-yl-2-propan-2-yloxypyridine

C11H15ClFNO — CID 71020615

IUPAC5-chloro-4-fluoro-3-propan-2-yl-2-propan-2-yloxypyridine
SMILESCC(C)Oc1ncc(Cl)c(F)c1C(C)C
InChIInChI=1S/C11H15ClFNO/c1-6(2)9-10(13)8(12)5-14-11(9)15-7(3)4/h5-7H,1-4H3
InChIKeyAMBBZLBHUHKJDA-UHFFFAOYSA-N
MW231.70 g/mol
LogP3.78
Rot. Bonds3

About 5-chloro-4-fluoro-3-propan-2-yl-2-propan-2-yloxypyridine

5-chloro-4-fluoro-3-propan-2-yl-2-propan-2-yloxypyridine (PubChem CID 71020615) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 5-chloro-4-fluoro-3-propan-2-yl-2-propan-2-yloxypyridine.

Molecular Properties

Compound Name5-chloro-4-fluoro-3-propan-2-yl-2-propan-2-yloxypyridine
PubChem CID71020615
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name5-chloro-4-fluoro-3-propan-2-yl-2-propan-2-yloxypyridine
SMILESCC(C)Oc1ncc(Cl)c(F)c1C(C)C
InChIInChI=1S/C11H15ClFNO/c1-6(2)9-10(13)8(12)5-14-11(9)15-7(3)4/h5-7H,1-4H3
InChIKeyAMBBZLBHUHKJDA-UHFFFAOYSA-N
XLogP3.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-4-fluoro-3-propan-2-yl-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-chloro-4-fluoro-3-propan-2-yl-2-propan-2-yloxypyridine?
The IUPAC name of 5-chloro-4-fluoro-3-propan-2-yl-2-propan-2-yloxypyridine (CID 71020615) is 5-chloro-4-fluoro-3-propan-2-yl-2-propan-2-yloxypyridine.
What is the SMILES notation for 5-chloro-4-fluoro-3-propan-2-yl-2-propan-2-yloxypyridine?
The canonical SMILES for 5-chloro-4-fluoro-3-propan-2-yl-2-propan-2-yloxypyridine is CC(C)Oc1ncc(Cl)c(F)c1C(C)C.
What is the InChIKey of 5-chloro-4-fluoro-3-propan-2-yl-2-propan-2-yloxypyridine?
The InChIKey is AMBBZLBHUHKJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-6(2)9-10(13)8(12)5-14-11(9)15-7(3)4/h5-7H,1-4H3.
What are the key properties of 5-chloro-4-fluoro-3-propan-2-yl-2-propan-2-yloxypyridine?
5-chloro-4-fluoro-3-propan-2-yl-2-propan-2-yloxypyridine has a molecular weight of 231.70 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-3-propan-2-yl-2-propan-2-yloxypyridine is sourced from PubChem (CID 71020615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).