2,4-ditert-butyl-6-cyclopropyloxypyridine

C16H25NO — CID 176622099

IUPAC2,4-ditert-butyl-6-cyclopropyloxypyridine
SMILESCC(C)(C)c1cc(OC2CC2)nc(C(C)(C)C)c1
InChIInChI=1S/C16H25NO/c1-15(2,3)11-9-13(16(4,5)6)17-14(10-11)18-12-7-8-12/h9-10,12H,7-8H2,1-6H3
InChIKeyRMFABTNISFYVLY-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.22
Rot. Bonds2

About 2,4-ditert-butyl-6-cyclopropyloxypyridine

2,4-ditert-butyl-6-cyclopropyloxypyridine (PubChem CID 176622099) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-cyclopropyloxypyridine.

Molecular Properties

Compound Name2,4-ditert-butyl-6-cyclopropyloxypyridine
PubChem CID176622099
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2,4-ditert-butyl-6-cyclopropyloxypyridine
SMILESCC(C)(C)c1cc(OC2CC2)nc(C(C)(C)C)c1
InChIInChI=1S/C16H25NO/c1-15(2,3)11-9-13(16(4,5)6)17-14(10-11)18-12-7-8-12/h9-10,12H,7-8H2,1-6H3
InChIKeyRMFABTNISFYVLY-UHFFFAOYSA-N
XLogP4.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-cyclopropyloxypyridine?
The IUPAC name of 2,4-ditert-butyl-6-cyclopropyloxypyridine (CID 176622099) is 2,4-ditert-butyl-6-cyclopropyloxypyridine.
What is the SMILES notation for 2,4-ditert-butyl-6-cyclopropyloxypyridine?
The canonical SMILES for 2,4-ditert-butyl-6-cyclopropyloxypyridine is CC(C)(C)c1cc(OC2CC2)nc(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-cyclopropyloxypyridine?
The InChIKey is RMFABTNISFYVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2,3)11-9-13(16(4,5)6)17-14(10-11)18-12-7-8-12/h9-10,12H,7-8H2,1-6H3.
What are the key properties of 2,4-ditert-butyl-6-cyclopropyloxypyridine?
2,4-ditert-butyl-6-cyclopropyloxypyridine has a molecular weight of 247.38 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-cyclopropyloxypyridine is sourced from PubChem (CID 176622099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).