2-(5-tert-butyl-3-fluoro-2-methylphenyl)pyridine

C16H18FN — CID 164927236

IUPAC2-(5-tert-butyl-3-fluoro-2-methylphenyl)pyridine
SMILESCc1c(F)cc(C(C)(C)C)cc1-c1ccccn1
InChIInChI=1S/C16H18FN/c1-11-13(15-7-5-6-8-18-15)9-12(10-14(11)17)16(2,3)4/h5-10H,1-4H3
InChIKeyAMWSEXVZJNEFBI-UHFFFAOYSA-N
MW243.32 g/mol
LogP4.49
Rot. Bonds1

About 2-(5-tert-butyl-3-fluoro-2-methylphenyl)pyridine

2-(5-tert-butyl-3-fluoro-2-methylphenyl)pyridine (PubChem CID 164927236) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is 2-(5-tert-butyl-3-fluoro-2-methylphenyl)pyridine.

Molecular Properties

Compound Name2-(5-tert-butyl-3-fluoro-2-methylphenyl)pyridine
PubChem CID164927236
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC Name2-(5-tert-butyl-3-fluoro-2-methylphenyl)pyridine
SMILESCc1c(F)cc(C(C)(C)C)cc1-c1ccccn1
InChIInChI=1S/C16H18FN/c1-11-13(15-7-5-6-8-18-15)9-12(10-14(11)17)16(2,3)4/h5-10H,1-4H3
InChIKeyAMWSEXVZJNEFBI-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-[5-tert-butyl-2-(4-tert-butyl-2-pyridin-2-ylphenyl)phenyl]pyridine
CID 155908951
2-[2-methyl-3,5-bis(trifluoromethyl)phenyl]pyridine
CID 144740114
2-(2,5-difluoro-4-methylphenyl)pyridine
CID 170974832
2-(4,5-difluoro-2-methylphenyl)pyridine;ethane
CID 145481986
2-[6-[6-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methyl-6-pyridin-2-ylphenol
CID 145474640
2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406
4-tert-butyl-2-[9-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-1,10-phenanthrolin-2-yl]-6-pyridin-2-ylphenol
CID 135961661
5-fluoro-2-pyridin-2-yl-4-(trifluoromethyl)aniline
CID 163811294
2-(2-tert-butylphenyl)pyridine
CID 67807360
2-(2-fluoro-3-methylphenyl)pyridine
CID 175536337
3,4-dimethyl-5-pyridin-2-ylaniline
CID 165495051
4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline
CID 59631148

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-3-fluoro-2-methylphenyl)pyridine?
The IUPAC name of 2-(5-tert-butyl-3-fluoro-2-methylphenyl)pyridine (CID 164927236) is 2-(5-tert-butyl-3-fluoro-2-methylphenyl)pyridine.
What is the SMILES notation for 2-(5-tert-butyl-3-fluoro-2-methylphenyl)pyridine?
The canonical SMILES for 2-(5-tert-butyl-3-fluoro-2-methylphenyl)pyridine is Cc1c(F)cc(C(C)(C)C)cc1-c1ccccn1.
What is the InChIKey of 2-(5-tert-butyl-3-fluoro-2-methylphenyl)pyridine?
The InChIKey is AMWSEXVZJNEFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-11-13(15-7-5-6-8-18-15)9-12(10-14(11)17)16(2,3)4/h5-10H,1-4H3.
What are the key properties of 2-(5-tert-butyl-3-fluoro-2-methylphenyl)pyridine?
2-(5-tert-butyl-3-fluoro-2-methylphenyl)pyridine 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-(5-tert-butyl-3-fluoro-2-methylphenyl)pyridine is sourced from PubChem (CID 164927236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).