4,4-ditert-butyl-3H-pyridine

C13H23N — CID 172864656

IUPAC4,4-ditert-butyl-3H-pyridine
SMILESCC(C)(C)C1(C(C)(C)C)C=CN=CC1
InChIInChI=1S/C13H23N/c1-11(2,3)13(12(4,5)6)7-9-14-10-8-13/h7,9-10H,8H2,1-6H3
InChIKeyZVCGICFKNLYCOC-UHFFFAOYSA-N
MW193.33 g/mol
LogP4.05
Rot. Bonds

About 4,4-ditert-butyl-3H-pyridine

4,4-ditert-butyl-3H-pyridine (PubChem CID 172864656) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 4,4-ditert-butyl-3H-pyridine.

Molecular Properties

Compound Name4,4-ditert-butyl-3H-pyridine
PubChem CID172864656
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name4,4-ditert-butyl-3H-pyridine
SMILESCC(C)(C)C1(C(C)(C)C)C=CN=CC1
InChIInChI=1S/C13H23N/c1-11(2,3)13(12(4,5)6)7-9-14-10-8-13/h7,9-10H,8H2,1-6H3
InChIKeyZVCGICFKNLYCOC-UHFFFAOYSA-N
XLogP4.05
TPSA12.36 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 ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Vinyl-4-ethyl-pyridine
CID 129787413
2,4-Dimethyl-4-ethylpyridine
CID 129809879
4-(3-fluoropropyl)-4-propan-2-yl-3H-pyridine
CID 175392976
4-Propan-2-yl-3,4-dihydropyridine
CID 14979262
4-Tert-butyl-3,4-dihydropyridine
CID 14979263
3-Tert-butyl-3,4-dihydropyridine
CID 14979271
4-Ethyl-3-methyl-3,4-dihydropyridine
CID 54052565
3,3-Diethylpyrrole
CID 57129957
3,3-Di(propan-2-yl)pyrrole
CID 58056046
3,4-Di(propan-2-yl)-3,4-dihydropyridine
CID 59427938
3-butan-2-yl-3H-pyrrole
CID 59658271
3,4-Ditert-butyl-3,4-dihydropyridine
CID 67128753

Frequently Asked Questions

What is the IUPAC name of 4,4-ditert-butyl-3H-pyridine?
The IUPAC name of 4,4-ditert-butyl-3H-pyridine (CID 172864656) is 4,4-ditert-butyl-3H-pyridine.
What is the SMILES notation for 4,4-ditert-butyl-3H-pyridine?
The canonical SMILES for 4,4-ditert-butyl-3H-pyridine is CC(C)(C)C1(C(C)(C)C)C=CN=CC1.
What is the InChIKey of 4,4-ditert-butyl-3H-pyridine?
The InChIKey is ZVCGICFKNLYCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-11(2,3)13(12(4,5)6)7-9-14-10-8-13/h7,9-10H,8H2,1-6H3.
What are the key properties of 4,4-ditert-butyl-3H-pyridine?
4,4-ditert-butyl-3H-pyridine has a molecular weight of 193.33 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-ditert-butyl-3H-pyridine is sourced from PubChem (CID 172864656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).