2-chloro-6-(2,3-dimethylbutoxy)pyridine

C11H16ClNO — CID 141282553

IUPAC2-chloro-6-(2,3-dimethylbutoxy)pyridine
SMILESCC(C)C(C)COc1cccc(Cl)n1
InChIInChI=1S/C11H16ClNO/c1-8(2)9(3)7-14-11-6-4-5-10(12)13-11/h4-6,8-9H,7H2,1-3H3
InChIKeyRYIYTRHWXPAITQ-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.41
Rot. Bonds4

About 2-chloro-6-(2,3-dimethylbutoxy)pyridine

2-chloro-6-(2,3-dimethylbutoxy)pyridine (PubChem CID 141282553) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-chloro-6-(2,3-dimethylbutoxy)pyridine.

Molecular Properties

Compound Name2-chloro-6-(2,3-dimethylbutoxy)pyridine
PubChem CID141282553
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-chloro-6-(2,3-dimethylbutoxy)pyridine
SMILESCC(C)C(C)COc1cccc(Cl)n1
InChIInChI=1S/C11H16ClNO/c1-8(2)9(3)7-14-11-6-4-5-10(12)13-11/h4-6,8-9H,7H2,1-3H3
InChIKeyRYIYTRHWXPAITQ-UHFFFAOYSA-N
XLogP3.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-chloro-6-(2,3-dimethylbutoxy)pyridine?
The IUPAC name of 2-chloro-6-(2,3-dimethylbutoxy)pyridine (CID 141282553) is 2-chloro-6-(2,3-dimethylbutoxy)pyridine.
What is the SMILES notation for 2-chloro-6-(2,3-dimethylbutoxy)pyridine?
The canonical SMILES for 2-chloro-6-(2,3-dimethylbutoxy)pyridine is CC(C)C(C)COc1cccc(Cl)n1.
What is the InChIKey of 2-chloro-6-(2,3-dimethylbutoxy)pyridine?
The InChIKey is RYIYTRHWXPAITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-8(2)9(3)7-14-11-6-4-5-10(12)13-11/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 2-chloro-6-(2,3-dimethylbutoxy)pyridine?
2-chloro-6-(2,3-dimethylbutoxy)pyridine has a molecular weight of 213.71 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,3-dimethylbutoxy)pyridine is sourced from PubChem (CID 141282553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).