4-tert-butyl-2-(4-chloro-2-fluorophenyl)pyridine

C15H15ClFN — CID 157299059

IUPAC4-tert-butyl-2-(4-chloro-2-fluorophenyl)pyridine
SMILESCC(C)(C)c1ccnc(-c2ccc(Cl)cc2F)c1
InChIInChI=1S/C15H15ClFN/c1-15(2,3)10-6-7-18-14(8-10)12-5-4-11(16)9-13(12)17/h4-9H,1-3H3
InChIKeyRXJMDJRVDGCHII-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.84
Rot. Bonds1

About 4-tert-butyl-2-(4-chloro-2-fluorophenyl)pyridine

4-tert-butyl-2-(4-chloro-2-fluorophenyl)pyridine (PubChem CID 157299059) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-chloro-2-fluorophenyl)pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-(4-chloro-2-fluorophenyl)pyridine
PubChem CID157299059
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name4-tert-butyl-2-(4-chloro-2-fluorophenyl)pyridine
SMILESCC(C)(C)c1ccnc(-c2ccc(Cl)cc2F)c1
InChIInChI=1S/C15H15ClFN/c1-15(2,3)10-6-7-18-14(8-10)12-5-4-11(16)9-13(12)17/h4-9H,1-3H3
InChIKeyRXJMDJRVDGCHII-UHFFFAOYSA-N
XLogP4.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-2-fluorophenyl)pyridine
CID 57200729
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;carbanide;platinum(2+)
CID 10962043
4-tert-butyl-2-[5-[[3-(4-tert-butyl-2-pyridinyl)-4-fluorophenyl]-phenylphosphoryl]-2-fluorophenyl]pyridine
CID 58661096
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;chlororhenium;methanone
CID 164886835
2-(2,4-difluorophenyl)-4-[2-(1-methylcyclopentyl)propan-2-yl]pyridine
CID 140585208
2-(2-fluorophenyl)-4-(trifluoromethyl)pyridine
CID 175224381
4-chloro-2-(4-chloro-2-methylsulfanylphenyl)pyridine
CID 19866649
2-(4-tert-butyl-2-pyridinyl)-6-chloropyridine
CID 156780767
4-tert-butyl-2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;iridium
CID 58900839
chloromethane;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 159313551
6-(4-chloro-2-fluorophenyl)pyridin-3-ol
CID 83128256
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;cerium(3+);tris((2,3,4,5,6-pentafluorophenyl)-trimethylsilylazanide)
CID 139184382

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-chloro-2-fluorophenyl)pyridine?
The IUPAC name of 4-tert-butyl-2-(4-chloro-2-fluorophenyl)pyridine (CID 157299059) is 4-tert-butyl-2-(4-chloro-2-fluorophenyl)pyridine.
What is the SMILES notation for 4-tert-butyl-2-(4-chloro-2-fluorophenyl)pyridine?
The canonical SMILES for 4-tert-butyl-2-(4-chloro-2-fluorophenyl)pyridine is CC(C)(C)c1ccnc(-c2ccc(Cl)cc2F)c1.
What is the InChIKey of 4-tert-butyl-2-(4-chloro-2-fluorophenyl)pyridine?
The InChIKey is RXJMDJRVDGCHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-15(2,3)10-6-7-18-14(8-10)12-5-4-11(16)9-13(12)17/h4-9H,1-3H3.
What are the key properties of 4-tert-butyl-2-(4-chloro-2-fluorophenyl)pyridine?
4-tert-butyl-2-(4-chloro-2-fluorophenyl)pyridine has a molecular weight of 263.74 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(4-chloro-2-fluorophenyl)pyridine is sourced from PubChem (CID 157299059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).