2-tert-butyl-4-[2-(5-chloro-2-pyridinyl)-2-methylpropyl]pyridine

C18H23ClN2 — CID 166704245

IUPAC2-tert-butyl-4-[2-(5-chloro-2-pyridinyl)-2-methylpropyl]pyridine
SMILESCC(C)(C)c1cc(CC(C)(C)c2ccc(Cl)cn2)ccn1
InChIInChI=1S/C18H23ClN2/c1-17(2,3)16-10-13(8-9-20-16)11-18(4,5)15-7-6-14(19)12-21-15/h6-10,12H,11H2,1-5H3
InChIKeyHEJKEXZFWTVUKR-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.95
Rot. Bonds3

About 2-tert-butyl-4-[2-(5-chloro-2-pyridinyl)-2-methylpropyl]pyridine

2-tert-butyl-4-[2-(5-chloro-2-pyridinyl)-2-methylpropyl]pyridine (PubChem CID 166704245) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 2-tert-butyl-4-[2-(5-chloro-2-pyridinyl)-2-methylpropyl]pyridine.

Molecular Properties

Compound Name2-tert-butyl-4-[2-(5-chloro-2-pyridinyl)-2-methylpropyl]pyridine
PubChem CID166704245
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name2-tert-butyl-4-[2-(5-chloro-2-pyridinyl)-2-methylpropyl]pyridine
SMILESCC(C)(C)c1cc(CC(C)(C)c2ccc(Cl)cn2)ccn1
InChIInChI=1S/C18H23ClN2/c1-17(2,3)16-10-13(8-9-20-16)11-18(4,5)15-7-6-14(19)12-21-15/h6-10,12H,11H2,1-5H3
InChIKeyHEJKEXZFWTVUKR-UHFFFAOYSA-N
XLogP4.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[2-(5-chloro-2-pyridinyl)-2-methylpropyl]pyridine?
The IUPAC name of 2-tert-butyl-4-[2-(5-chloro-2-pyridinyl)-2-methylpropyl]pyridine (CID 166704245) is 2-tert-butyl-4-[2-(5-chloro-2-pyridinyl)-2-methylpropyl]pyridine.
What is the SMILES notation for 2-tert-butyl-4-[2-(5-chloro-2-pyridinyl)-2-methylpropyl]pyridine?
The canonical SMILES for 2-tert-butyl-4-[2-(5-chloro-2-pyridinyl)-2-methylpropyl]pyridine is CC(C)(C)c1cc(CC(C)(C)c2ccc(Cl)cn2)ccn1.
What is the InChIKey of 2-tert-butyl-4-[2-(5-chloro-2-pyridinyl)-2-methylpropyl]pyridine?
The InChIKey is HEJKEXZFWTVUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-17(2,3)16-10-13(8-9-20-16)11-18(4,5)15-7-6-14(19)12-21-15/h6-10,12H,11H2,1-5H3.
What are the key properties of 2-tert-butyl-4-[2-(5-chloro-2-pyridinyl)-2-methylpropyl]pyridine?
2-tert-butyl-4-[2-(5-chloro-2-pyridinyl)-2-methylpropyl]pyridine has a molecular weight of 302.85 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[2-(5-chloro-2-pyridinyl)-2-methylpropyl]pyridine is sourced from PubChem (CID 166704245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).