2-tert-butyl-5-(4-fluorophenyl)-4-methylpyridine

C16H18FN — CID 121384461

IUPAC2-tert-butyl-5-(4-fluorophenyl)-4-methylpyridine
SMILESCc1cc(C(C)(C)C)ncc1-c1ccc(F)cc1
InChIInChI=1S/C16H18FN/c1-11-9-15(16(2,3)4)18-10-14(11)12-5-7-13(17)8-6-12/h5-10H,1-4H3
InChIKeyWSIDYVXPBJOGIQ-UHFFFAOYSA-N
MW243.32 g/mol
LogP4.49
Rot. Bonds1

About 2-tert-butyl-5-(4-fluorophenyl)-4-methylpyridine

2-tert-butyl-5-(4-fluorophenyl)-4-methylpyridine (PubChem CID 121384461) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is 2-tert-butyl-5-(4-fluorophenyl)-4-methylpyridine.

Molecular Properties

Compound Name2-tert-butyl-5-(4-fluorophenyl)-4-methylpyridine
PubChem CID121384461
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC Name2-tert-butyl-5-(4-fluorophenyl)-4-methylpyridine
SMILESCc1cc(C(C)(C)C)ncc1-c1ccc(F)cc1
InChIInChI=1S/C16H18FN/c1-11-9-15(16(2,3)4)18-10-14(11)12-5-7-13(17)8-6-12/h5-10H,1-4H3
InChIKeyWSIDYVXPBJOGIQ-UHFFFAOYSA-N
XLogP4.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-5-(4-methoxyphenyl)-4-methylpyridine
CID 121384515
2-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyridine
CID 121384487
2-fluoro-5-(4-fluorophenyl)-4-methylpyridine
CID 46312606
5-(4-fluorophenyl)-4-methyl-2-(4-methylphenyl)pyridine
CID 142308493
2-tert-butyl-5-fluoro-4-methylpyridine
CID 59286667
5-(4-fluorophenyl)-4-methyl-2-(4-phenylphenyl)pyridine
CID 142322042
2-tert-butyl-4-(4-fluorophenyl)-5-methylaniline
CID 67962216
4-(4-fluorophenyl)-1,7-dimethylisoquinoline
CID 134869171
2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
CID 134225954
2-tert-butyl-5-(3-fluorophenyl)-4-(trifluoromethyl)pyridine
CID 121384491
2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-phenylphenyl]phenyl]-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
CID 134226053
2-tert-butyl-4-methyl-5-(1-phenylimidazol-2-yl)pyridine
CID 153439411

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(4-fluorophenyl)-4-methylpyridine?
The IUPAC name of 2-tert-butyl-5-(4-fluorophenyl)-4-methylpyridine (CID 121384461) is 2-tert-butyl-5-(4-fluorophenyl)-4-methylpyridine.
What is the SMILES notation for 2-tert-butyl-5-(4-fluorophenyl)-4-methylpyridine?
The canonical SMILES for 2-tert-butyl-5-(4-fluorophenyl)-4-methylpyridine is Cc1cc(C(C)(C)C)ncc1-c1ccc(F)cc1.
What is the InChIKey of 2-tert-butyl-5-(4-fluorophenyl)-4-methylpyridine?
The InChIKey is WSIDYVXPBJOGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-11-9-15(16(2,3)4)18-10-14(11)12-5-7-13(17)8-6-12/h5-10H,1-4H3.
What are the key properties of 2-tert-butyl-5-(4-fluorophenyl)-4-methylpyridine?
2-tert-butyl-5-(4-fluorophenyl)-4-methylpyridine has a molecular weight of 243.32 g/mol, XLogP of 4.49, 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-(4-fluorophenyl)-4-methylpyridine is sourced from PubChem (CID 121384461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).