2-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyridine

C16H17F2N — CID 121384487

IUPAC2-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyridine
SMILESCc1cc(C(C)(C)C)ncc1-c1ccc(F)cc1F
InChIInChI=1S/C16H17F2N/c1-10-7-15(16(2,3)4)19-9-13(10)12-6-5-11(17)8-14(12)18/h5-9H,1-4H3
InChIKeyJZCZFQNJIJNPNN-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.63
Rot. Bonds1

About 2-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyridine

2-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyridine (PubChem CID 121384487) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyridine.

Molecular Properties

Compound Name2-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyridine
PubChem CID121384487
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name2-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyridine
SMILESCc1cc(C(C)(C)C)ncc1-c1ccc(F)cc1F
InChIInChI=1S/C16H17F2N/c1-10-7-15(16(2,3)4)19-9-13(10)12-6-5-11(17)8-14(12)18/h5-9H,1-4H3
InChIKeyJZCZFQNJIJNPNN-UHFFFAOYSA-N
XLogP4.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyridine?
The IUPAC name of 2-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyridine (CID 121384487) is 2-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyridine.
What is the SMILES notation for 2-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyridine?
The canonical SMILES for 2-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyridine is Cc1cc(C(C)(C)C)ncc1-c1ccc(F)cc1F.
What is the InChIKey of 2-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyridine?
The InChIKey is JZCZFQNJIJNPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-10-7-15(16(2,3)4)19-9-13(10)12-6-5-11(17)8-14(12)18/h5-9H,1-4H3.
What are the key properties of 2-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyridine?
2-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyridine has a molecular weight of 261.31 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyridine is sourced from PubChem (CID 121384487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).