2-(2,4-difluorophenyl)-3-propan-2-ylpyridine

C14H13F2N — CID 58439278

IUPAC2-(2,4-difluorophenyl)-3-propan-2-ylpyridine
SMILESCC(C)c1cccnc1-c1ccc(F)cc1F
InChIInChI=1S/C14H13F2N/c1-9(2)11-4-3-7-17-14(11)12-6-5-10(15)8-13(12)16/h3-9H,1-2H3
InChIKeyWJHRKLRVZGYFEB-UHFFFAOYSA-N
MW233.26 g/mol
LogP4.15
Rot. Bonds2

About 2-(2,4-difluorophenyl)-3-propan-2-ylpyridine

2-(2,4-difluorophenyl)-3-propan-2-ylpyridine (PubChem CID 58439278) has the molecular formula C14H13F2N and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-3-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-3-propan-2-ylpyridine
PubChem CID58439278
Molecular FormulaC14H13F2N
Molecular Weight233.26 g/mol
Exact Mass233.10
IUPAC Name2-(2,4-difluorophenyl)-3-propan-2-ylpyridine
SMILESCC(C)c1cccnc1-c1ccc(F)cc1F
InChIInChI=1S/C14H13F2N/c1-9(2)11-4-3-7-17-14(11)12-6-5-10(15)8-13(12)16/h3-9H,1-2H3
InChIKeyWJHRKLRVZGYFEB-UHFFFAOYSA-N
XLogP4.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-3-propan-2-ylpyridine?
The IUPAC name of 2-(2,4-difluorophenyl)-3-propan-2-ylpyridine (CID 58439278) is 2-(2,4-difluorophenyl)-3-propan-2-ylpyridine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-3-propan-2-ylpyridine?
The canonical SMILES for 2-(2,4-difluorophenyl)-3-propan-2-ylpyridine is CC(C)c1cccnc1-c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-3-propan-2-ylpyridine?
The InChIKey is WJHRKLRVZGYFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N/c1-9(2)11-4-3-7-17-14(11)12-6-5-10(15)8-13(12)16/h3-9H,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-3-propan-2-ylpyridine?
2-(2,4-difluorophenyl)-3-propan-2-ylpyridine has a molecular weight of 233.26 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-3-propan-2-ylpyridine is sourced from PubChem (CID 58439278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).