2,3-ditert-butyl-5-(difluoromethyl)pyridine

C14H21F2N — CID 177260449

IUPAC2,3-ditert-butyl-5-(difluoromethyl)pyridine
SMILESCC(C)(C)c1cc(C(F)F)cnc1C(C)(C)C
InChIInChI=1S/C14H21F2N/c1-13(2,3)10-7-9(12(15)16)8-17-11(10)14(4,5)6/h7-8,12H,1-6H3
InChIKeyGWIKMJKQJJVBEU-UHFFFAOYSA-N
MW241.32 g/mol
LogP4.61
Rot. Bonds1

About 2,3-ditert-butyl-5-(difluoromethyl)pyridine

2,3-ditert-butyl-5-(difluoromethyl)pyridine (PubChem CID 177260449) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is 2,3-ditert-butyl-5-(difluoromethyl)pyridine.

Molecular Properties

Compound Name2,3-ditert-butyl-5-(difluoromethyl)pyridine
PubChem CID177260449
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC Name2,3-ditert-butyl-5-(difluoromethyl)pyridine
SMILESCC(C)(C)c1cc(C(F)F)cnc1C(C)(C)C
InChIInChI=1S/C14H21F2N/c1-13(2,3)10-7-9(12(15)16)8-17-11(10)14(4,5)6/h7-8,12H,1-6H3
InChIKeyGWIKMJKQJJVBEU-UHFFFAOYSA-N
XLogP4.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-3-methyl-5-propan-2-ylpyridine
CID 134415008
N-(5,6-ditert-butyl-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 162423998
2-tert-butyl-3-cyclopropyl-5-propan-2-ylpyridine
CID 139315844
2-[5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134683635
2-bromo-5-(difluoromethyl)-3-fluoropyridine
CID 119021158
3-(bromomethyl)-5-(difluoromethyl)pyridin-2-amine
CID 119014885
5-bromo-2-(difluoromethyl)-3-methylpyridine
CID 130095050
4,5-ditert-butyl-2-chloropyridine
CID 155787493
2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine
CID 58305903
1-tert-butyl-3-(difluoromethyl)-5-(trifluoromethyl)benzene
CID 165377879
5-(difluoromethyl)pyrimidine-2-carboxylic acid
CID 131194647
[5-(difluoromethyl)-2-pyridinyl]phosphane;ethane
CID 144826758

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-5-(difluoromethyl)pyridine?
The IUPAC name of 2,3-ditert-butyl-5-(difluoromethyl)pyridine (CID 177260449) is 2,3-ditert-butyl-5-(difluoromethyl)pyridine.
What is the SMILES notation for 2,3-ditert-butyl-5-(difluoromethyl)pyridine?
The canonical SMILES for 2,3-ditert-butyl-5-(difluoromethyl)pyridine is CC(C)(C)c1cc(C(F)F)cnc1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyl-5-(difluoromethyl)pyridine?
The InChIKey is GWIKMJKQJJVBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-13(2,3)10-7-9(12(15)16)8-17-11(10)14(4,5)6/h7-8,12H,1-6H3.
What are the key properties of 2,3-ditert-butyl-5-(difluoromethyl)pyridine?
2,3-ditert-butyl-5-(difluoromethyl)pyridine has a molecular weight of 241.32 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-5-(difluoromethyl)pyridine is sourced from PubChem (CID 177260449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).