3,5-dichloro-4-(2,3-dimethylbutan-2-yl)pyridine

C11H15Cl2N — CID 176962230

IUPAC3,5-dichloro-4-(2,3-dimethylbutan-2-yl)pyridine
SMILESCC(C)C(C)(C)c1c(Cl)cncc1Cl
InChIInChI=1S/C11H15Cl2N/c1-7(2)11(3,4)10-8(12)5-14-6-9(10)13/h5-7H,1-4H3
InChIKeyGFPUOHWKBUPELX-UHFFFAOYSA-N
MW232.15 g/mol
LogP4.32
Rot. Bonds2

About 3,5-dichloro-4-(2,3-dimethylbutan-2-yl)pyridine

3,5-dichloro-4-(2,3-dimethylbutan-2-yl)pyridine (PubChem CID 176962230) has the molecular formula C11H15Cl2N and a molecular weight of 232.15 g/mol. Its IUPAC name is 3,5-dichloro-4-(2,3-dimethylbutan-2-yl)pyridine.

Molecular Properties

Compound Name3,5-dichloro-4-(2,3-dimethylbutan-2-yl)pyridine
PubChem CID176962230
Molecular FormulaC11H15Cl2N
Molecular Weight232.15 g/mol
Exact Mass231.06
IUPAC Name3,5-dichloro-4-(2,3-dimethylbutan-2-yl)pyridine
SMILESCC(C)C(C)(C)c1c(Cl)cncc1Cl
InChIInChI=1S/C11H15Cl2N/c1-7(2)11(3,4)10-8(12)5-14-6-9(10)13/h5-7H,1-4H3
InChIKeyGFPUOHWKBUPELX-UHFFFAOYSA-N
XLogP4.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(2,3-dimethylbutan-2-yl)pyridine?
The IUPAC name of 3,5-dichloro-4-(2,3-dimethylbutan-2-yl)pyridine (CID 176962230) is 3,5-dichloro-4-(2,3-dimethylbutan-2-yl)pyridine.
What is the SMILES notation for 3,5-dichloro-4-(2,3-dimethylbutan-2-yl)pyridine?
The canonical SMILES for 3,5-dichloro-4-(2,3-dimethylbutan-2-yl)pyridine is CC(C)C(C)(C)c1c(Cl)cncc1Cl.
What is the InChIKey of 3,5-dichloro-4-(2,3-dimethylbutan-2-yl)pyridine?
The InChIKey is GFPUOHWKBUPELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N/c1-7(2)11(3,4)10-8(12)5-14-6-9(10)13/h5-7H,1-4H3.
What are the key properties of 3,5-dichloro-4-(2,3-dimethylbutan-2-yl)pyridine?
3,5-dichloro-4-(2,3-dimethylbutan-2-yl)pyridine has a molecular weight of 232.15 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(2,3-dimethylbutan-2-yl)pyridine is sourced from PubChem (CID 176962230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).