4-tert-butyl-2,6-dichloropyridine

C9H11Cl2N — CID 23131481

IUPAC4-tert-butyl-2,6-dichloropyridine
SMILESCC(C)(C)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C9H11Cl2N/c1-9(2,3)6-4-7(10)12-8(11)5-6/h4-5H,1-3H3
InChIKeyNZBWJWSQADQOKF-UHFFFAOYSA-N
MW204.10 g/mol
LogP3.69
Rot. Bonds

About 4-tert-butyl-2,6-dichloropyridine

4-tert-butyl-2,6-dichloropyridine (PubChem CID 23131481) has the molecular formula C9H11Cl2N and a molecular weight of 204.10 g/mol. Its IUPAC name is 4-tert-butyl-2,6-dichloropyridine.

Molecular Properties

Compound Name4-tert-butyl-2,6-dichloropyridine
PubChem CID23131481
Molecular FormulaC9H11Cl2N
Molecular Weight204.10 g/mol
Exact Mass203.03
IUPAC Name4-tert-butyl-2,6-dichloropyridine
SMILESCC(C)(C)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C9H11Cl2N/c1-9(2,3)6-4-7(10)12-8(11)5-6/h4-5H,1-3H3
InChIKeyNZBWJWSQADQOKF-UHFFFAOYSA-N
XLogP3.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.10
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,6-dichloropyridine?
The IUPAC name of 4-tert-butyl-2,6-dichloropyridine (CID 23131481) is 4-tert-butyl-2,6-dichloropyridine.
What is the SMILES notation for 4-tert-butyl-2,6-dichloropyridine?
The canonical SMILES for 4-tert-butyl-2,6-dichloropyridine is CC(C)(C)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 4-tert-butyl-2,6-dichloropyridine?
The InChIKey is NZBWJWSQADQOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N/c1-9(2,3)6-4-7(10)12-8(11)5-6/h4-5H,1-3H3.
What are the key properties of 4-tert-butyl-2,6-dichloropyridine?
4-tert-butyl-2,6-dichloropyridine has a molecular weight of 204.10 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,6-dichloropyridine is sourced from PubChem (CID 23131481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).