1,4-ditert-butyl-2H-pyridine

C13H23N — CID 66942442

IUPAC1,4-ditert-butyl-2H-pyridine
SMILESCC(C)(C)C1=CCN(C(C)(C)C)C=C1
InChIInChI=1S/C13H23N/c1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h7-9H,10H2,1-6H3
InChIKeyKVHFHMXNWIRFGS-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.59
Rot. Bonds

About 1,4-ditert-butyl-2H-pyridine

1,4-ditert-butyl-2H-pyridine (PubChem CID 66942442) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1,4-ditert-butyl-2H-pyridine.

Molecular Properties

Compound Name1,4-ditert-butyl-2H-pyridine
PubChem CID66942442
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1,4-ditert-butyl-2H-pyridine
SMILESCC(C)(C)C1=CCN(C(C)(C)C)C=C1
InChIInChI=1S/C13H23N/c1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h7-9H,10H2,1-6H3
InChIKeyKVHFHMXNWIRFGS-UHFFFAOYSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-2H-pyridine?
The IUPAC name of 1,4-ditert-butyl-2H-pyridine (CID 66942442) is 1,4-ditert-butyl-2H-pyridine.
What is the SMILES notation for 1,4-ditert-butyl-2H-pyridine?
The canonical SMILES for 1,4-ditert-butyl-2H-pyridine is CC(C)(C)C1=CCN(C(C)(C)C)C=C1.
What is the InChIKey of 1,4-ditert-butyl-2H-pyridine?
The InChIKey is KVHFHMXNWIRFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h7-9H,10H2,1-6H3.
What are the key properties of 1,4-ditert-butyl-2H-pyridine?
1,4-ditert-butyl-2H-pyridine has a molecular weight of 193.33 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-2H-pyridine is sourced from PubChem (CID 66942442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).