4-tert-butylpyridine

C9H13N — CID 19878

IUPAC4-tert-butylpyridine
SMILESCC(C)(C)c1ccncc1
InChIInChI=1S/C9H13N/c1-9(2,3)8-4-6-10-7-5-8/h4-7H,1-3H3
InChIKeyYSHMQTRICHYLGF-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.38
Rot. Bonds

About 4-tert-butylpyridine

4-tert-butylpyridine (PubChem CID 19878) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 4-tert-butylpyridine.

Molecular Properties

Compound Name4-tert-butylpyridine
PubChem CID19878
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name4-tert-butylpyridine
SMILESCC(C)(C)c1ccncc1
InChIInChI=1S/C9H13N/c1-9(2,3)8-4-6-10-7-5-8/h4-7H,1-3H3
InChIKeyYSHMQTRICHYLGF-UHFFFAOYSA-N
XLogP2.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylpyridine?
The IUPAC name of 4-tert-butylpyridine (CID 19878) is 4-tert-butylpyridine.
What is the SMILES notation for 4-tert-butylpyridine?
The canonical SMILES for 4-tert-butylpyridine is CC(C)(C)c1ccncc1.
What is the InChIKey of 4-tert-butylpyridine?
The InChIKey is YSHMQTRICHYLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-9(2,3)8-4-6-10-7-5-8/h4-7H,1-3H3.
What are the key properties of 4-tert-butylpyridine?
4-tert-butylpyridine has a molecular weight of 135.21 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylpyridine is sourced from PubChem (CID 19878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).