3-(4-tert-butylphenyl)-5-fluoropyridine

C15H16FN — CID 176564936

IUPAC3-(4-tert-butylphenyl)-5-fluoropyridine
SMILESCC(C)(C)c1ccc(-c2cncc(F)c2)cc1
InChIInChI=1S/C15H16FN/c1-15(2,3)13-6-4-11(5-7-13)12-8-14(16)10-17-9-12/h4-10H,1-3H3
InChIKeyKCGRVDXYMMAQDA-UHFFFAOYSA-N
MW229.30 g/mol
LogP4.19
Rot. Bonds1

About 3-(4-tert-butylphenyl)-5-fluoropyridine

3-(4-tert-butylphenyl)-5-fluoropyridine (PubChem CID 176564936) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-5-fluoropyridine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-5-fluoropyridine
PubChem CID176564936
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC Name3-(4-tert-butylphenyl)-5-fluoropyridine
SMILESCC(C)(C)c1ccc(-c2cncc(F)c2)cc1
InChIInChI=1S/C15H16FN/c1-15(2,3)13-6-4-11(5-7-13)12-8-14(16)10-17-9-12/h4-10H,1-3H3
InChIKeyKCGRVDXYMMAQDA-UHFFFAOYSA-N
XLogP4.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-tert-butylphenyl)pyridin-3-amine
CID 25184245
3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-[3-(4-tert-butylphenyl)-5-(4-ethylphenyl)phenyl]pyridine
CID 159992770
3,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134623472
1-(4-tert-butylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 115805098
5-(4-tert-butylphenyl)-2-(4-fluorophenyl)pyrimidine
CID 101484197
4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline
CID 103930885
2-chloro-4-(5-fluoro-3-pyridinyl)phenol
CID 83131119
1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene
CID 58671884
3-(4-tert-butyl-1,2,4-triazol-3-yl)-5-fluoropyridine
CID 104786808
1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)ethanamine
CID 54967235
3-fluoro-5-[3-fluoro-5-[4-[3-fluoro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]phenyl]phenoxy]pyridine
CID 170362845
5-(5-fluoro-3-pyridinyl)-3-methylpyridin-2-amine
CID 83171111

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-5-fluoropyridine?
The IUPAC name of 3-(4-tert-butylphenyl)-5-fluoropyridine (CID 176564936) is 3-(4-tert-butylphenyl)-5-fluoropyridine.
What is the SMILES notation for 3-(4-tert-butylphenyl)-5-fluoropyridine?
The canonical SMILES for 3-(4-tert-butylphenyl)-5-fluoropyridine is CC(C)(C)c1ccc(-c2cncc(F)c2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-5-fluoropyridine?
The InChIKey is KCGRVDXYMMAQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c1-15(2,3)13-6-4-11(5-7-13)12-8-14(16)10-17-9-12/h4-10H,1-3H3.
What are the key properties of 3-(4-tert-butylphenyl)-5-fluoropyridine?
3-(4-tert-butylphenyl)-5-fluoropyridine has a molecular weight of 229.30 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-5-fluoropyridine is sourced from PubChem (CID 176564936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).