5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine

C15H15F2N — CID 162772276

IUPAC5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine
SMILESCc1ccc(-c2cc(F)c(C(C)C)c(F)c2)cn1
InChIInChI=1S/C15H15F2N/c1-9(2)15-13(16)6-12(7-14(15)17)11-5-4-10(3)18-8-11/h4-9H,1-3H3
InChIKeyUGKHUVZHHLZSNK-UHFFFAOYSA-N
MW247.29 g/mol
LogP4.46
Rot. Bonds2

About 5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine

5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine (PubChem CID 162772276) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is 5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine.

Molecular Properties

Compound Name5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine
PubChem CID162772276
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine
SMILESCc1ccc(-c2cc(F)c(C(C)C)c(F)c2)cn1
InChIInChI=1S/C15H15F2N/c1-9(2)15-13(16)6-12(7-14(15)17)11-5-4-10(3)18-8-11/h4-9H,1-3H3
InChIKeyUGKHUVZHHLZSNK-UHFFFAOYSA-N
XLogP4.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine?
The IUPAC name of 5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine (CID 162772276) is 5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine.
What is the SMILES notation for 5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine?
The canonical SMILES for 5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine is Cc1ccc(-c2cc(F)c(C(C)C)c(F)c2)cn1.
What is the InChIKey of 5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine?
The InChIKey is UGKHUVZHHLZSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-9(2)15-13(16)6-12(7-14(15)17)11-5-4-10(3)18-8-11/h4-9H,1-3H3.
What are the key properties of 5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine?
5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine has a molecular weight of 247.29 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine is sourced from PubChem (CID 162772276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).