3-(2-tert-butyl-4-pyridinyl)-4-fluoro-5-phenylpyridine

C20H19FN2 — CID 175086759

IUPAC3-(2-tert-butyl-4-pyridinyl)-4-fluoro-5-phenylpyridine
SMILESCC(C)(C)c1cc(-c2cncc(-c3ccccc3)c2F)ccn1
InChIInChI=1S/C20H19FN2/c1-20(2,3)18-11-15(9-10-23-18)17-13-22-12-16(19(17)21)14-7-5-4-6-8-14/h4-13H,1-3H3
InChIKeyXMWIXKJLPBKDDT-UHFFFAOYSA-N
MW306.38 g/mol
LogP5.25
Rot. Bonds2

About 3-(2-tert-butyl-4-pyridinyl)-4-fluoro-5-phenylpyridine

3-(2-tert-butyl-4-pyridinyl)-4-fluoro-5-phenylpyridine (PubChem CID 175086759) has the molecular formula C20H19FN2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 3-(2-tert-butyl-4-pyridinyl)-4-fluoro-5-phenylpyridine.

Molecular Properties

Compound Name3-(2-tert-butyl-4-pyridinyl)-4-fluoro-5-phenylpyridine
PubChem CID175086759
Molecular FormulaC20H19FN2
Molecular Weight306.38 g/mol
Exact Mass306.15
IUPAC Name3-(2-tert-butyl-4-pyridinyl)-4-fluoro-5-phenylpyridine
SMILESCC(C)(C)c1cc(-c2cncc(-c3ccccc3)c2F)ccn1
InChIInChI=1S/C20H19FN2/c1-20(2,3)18-11-15(9-10-23-18)17-13-22-12-16(19(17)21)14-7-5-4-6-8-14/h4-13H,1-3H3
InChIKeyXMWIXKJLPBKDDT-UHFFFAOYSA-N
XLogP5.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.38
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2-tert-butyl-4-pyridinyl)-4-fluoro-5-phenylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-tert-butyl-2-fluoro-3-phenylpyridine
CID 165372109
2-tert-butyl-3,5-diphenylpyridine
CID 167260640
2-tert-butyl-5-(3-fluorophenyl)-4-(trifluoromethyl)pyridine
CID 121384491
4-(4-tert-butyl-2,6-diphenylphenyl)-2-chloropyridine
CID 146704594
2-tert-butyl-5-(4-fluorophenyl)-4-methylpyridine
CID 121384461
4-fluoro-5-phenylpyridine-3-carboxamide
CID 91379207
3-fluoro-5-phenyl-4-(trifluoromethyl)pyridine
CID 133095547
2-[4-(2-chloro-5-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-ol
CID 172590006
2-fluoro-1,3,5-triphenylbenzene
CID 146653815
5-(2-tert-butyl-4-pyridinyl)-1H-indazole
CID 58588587
3-tert-butylisoquinoline;2,2-dimethylpropane;ethane;pyridine
CID 159668510
3-tert-butyl-2,4-difluoro-1-methyl-5-phenylbenzene
CID 164927245

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butyl-4-pyridinyl)-4-fluoro-5-phenylpyridine?
The IUPAC name of 3-(2-tert-butyl-4-pyridinyl)-4-fluoro-5-phenylpyridine (CID 175086759) is 3-(2-tert-butyl-4-pyridinyl)-4-fluoro-5-phenylpyridine.
What is the SMILES notation for 3-(2-tert-butyl-4-pyridinyl)-4-fluoro-5-phenylpyridine?
The canonical SMILES for 3-(2-tert-butyl-4-pyridinyl)-4-fluoro-5-phenylpyridine is CC(C)(C)c1cc(-c2cncc(-c3ccccc3)c2F)ccn1.
What is the InChIKey of 3-(2-tert-butyl-4-pyridinyl)-4-fluoro-5-phenylpyridine?
The InChIKey is XMWIXKJLPBKDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2/c1-20(2,3)18-11-15(9-10-23-18)17-13-22-12-16(19(17)21)14-7-5-4-6-8-14/h4-13H,1-3H3.
What are the key properties of 3-(2-tert-butyl-4-pyridinyl)-4-fluoro-5-phenylpyridine?
3-(2-tert-butyl-4-pyridinyl)-4-fluoro-5-phenylpyridine has a molecular weight of 306.38 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butyl-4-pyridinyl)-4-fluoro-5-phenylpyridine is sourced from PubChem (CID 175086759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).