2-tert-butyl-4-chloro-6-ethylpyridine

C11H16ClN — CID 158851083

IUPAC2-tert-butyl-4-chloro-6-ethylpyridine
SMILESCCc1cc(Cl)cc(C(C)(C)C)n1
InChIInChI=1S/C11H16ClN/c1-5-9-6-8(12)7-10(13-9)11(2,3)4/h6-7H,5H2,1-4H3
InChIKeyIZLMIUOKRQPPES-UHFFFAOYSA-N
MW197.71 g/mol
LogP3.59
Rot. Bonds1

About 2-tert-butyl-4-chloro-6-ethylpyridine

2-tert-butyl-4-chloro-6-ethylpyridine (PubChem CID 158851083) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-6-ethylpyridine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-6-ethylpyridine
PubChem CID158851083
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name2-tert-butyl-4-chloro-6-ethylpyridine
SMILESCCc1cc(Cl)cc(C(C)(C)C)n1
InChIInChI=1S/C11H16ClN/c1-5-9-6-8(12)7-10(13-9)11(2,3)4/h6-7H,5H2,1-4H3
InChIKeyIZLMIUOKRQPPES-UHFFFAOYSA-N
XLogP3.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-6-ethylpyridine?
The IUPAC name of 2-tert-butyl-4-chloro-6-ethylpyridine (CID 158851083) is 2-tert-butyl-4-chloro-6-ethylpyridine.
What is the SMILES notation for 2-tert-butyl-4-chloro-6-ethylpyridine?
The canonical SMILES for 2-tert-butyl-4-chloro-6-ethylpyridine is CCc1cc(Cl)cc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-chloro-6-ethylpyridine?
The InChIKey is IZLMIUOKRQPPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-5-9-6-8(12)7-10(13-9)11(2,3)4/h6-7H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-4-chloro-6-ethylpyridine?
2-tert-butyl-4-chloro-6-ethylpyridine has a molecular weight of 197.71 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-6-ethylpyridine is sourced from PubChem (CID 158851083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).