2-(5-tert-butyl-2-methoxyphenyl)-5-fluoropyridine

C16H18FNO — CID 90122592

IUPAC2-(5-tert-butyl-2-methoxyphenyl)-5-fluoropyridine
SMILESCOc1ccc(C(C)(C)C)cc1-c1ccc(F)cn1
InChIInChI=1S/C16H18FNO/c1-16(2,3)11-5-8-15(19-4)13(9-11)14-7-6-12(17)10-18-14/h5-10H,1-4H3
InChIKeySADZQAYMSPXUJG-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.19
Rot. Bonds2

About 2-(5-tert-butyl-2-methoxyphenyl)-5-fluoropyridine

2-(5-tert-butyl-2-methoxyphenyl)-5-fluoropyridine (PubChem CID 90122592) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methoxyphenyl)-5-fluoropyridine.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methoxyphenyl)-5-fluoropyridine
PubChem CID90122592
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-(5-tert-butyl-2-methoxyphenyl)-5-fluoropyridine
SMILESCOc1ccc(C(C)(C)C)cc1-c1ccc(F)cn1
InChIInChI=1S/C16H18FNO/c1-16(2,3)11-5-8-15(19-4)13(9-11)14-7-6-12(17)10-18-14/h5-10H,1-4H3
InChIKeySADZQAYMSPXUJG-UHFFFAOYSA-N
XLogP4.19
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methoxyphenyl)-5-fluoropyridine?
The IUPAC name of 2-(5-tert-butyl-2-methoxyphenyl)-5-fluoropyridine (CID 90122592) is 2-(5-tert-butyl-2-methoxyphenyl)-5-fluoropyridine.
What is the SMILES notation for 2-(5-tert-butyl-2-methoxyphenyl)-5-fluoropyridine?
The canonical SMILES for 2-(5-tert-butyl-2-methoxyphenyl)-5-fluoropyridine is COc1ccc(C(C)(C)C)cc1-c1ccc(F)cn1.
What is the InChIKey of 2-(5-tert-butyl-2-methoxyphenyl)-5-fluoropyridine?
The InChIKey is SADZQAYMSPXUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-16(2,3)11-5-8-15(19-4)13(9-11)14-7-6-12(17)10-18-14/h5-10H,1-4H3.
What are the key properties of 2-(5-tert-butyl-2-methoxyphenyl)-5-fluoropyridine?
2-(5-tert-butyl-2-methoxyphenyl)-5-fluoropyridine has a molecular weight of 259.32 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-methoxyphenyl)-5-fluoropyridine is sourced from PubChem (CID 90122592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).