2-chloro-6-(3-methylbutoxy)-4-(trifluoromethyl)pyridine

C11H13ClF3NO — CID 102715140

IUPAC2-chloro-6-(3-methylbutoxy)-4-(trifluoromethyl)pyridine
SMILESCC(C)CCOc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C11H13ClF3NO/c1-7(2)3-4-17-10-6-8(11(13,14)15)5-9(12)16-10/h5-7H,3-4H2,1-2H3
InChIKeyOLOASFMRHFBYLT-UHFFFAOYSA-N
MW267.68 g/mol
LogP4.18
Rot. Bonds4

About 2-chloro-6-(3-methylbutoxy)-4-(trifluoromethyl)pyridine

2-chloro-6-(3-methylbutoxy)-4-(trifluoromethyl)pyridine (PubChem CID 102715140) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 2-chloro-6-(3-methylbutoxy)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(3-methylbutoxy)-4-(trifluoromethyl)pyridine
PubChem CID102715140
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name2-chloro-6-(3-methylbutoxy)-4-(trifluoromethyl)pyridine
SMILESCC(C)CCOc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C11H13ClF3NO/c1-7(2)3-4-17-10-6-8(11(13,14)15)5-9(12)16-10/h5-7H,3-4H2,1-2H3
InChIKeyOLOASFMRHFBYLT-UHFFFAOYSA-N
XLogP4.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 54.18
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-(3-methylbutoxy)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-6-(3-methylbutoxy)-4-(trifluoromethyl)pyridine (CID 102715140) is 2-chloro-6-(3-methylbutoxy)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-(3-methylbutoxy)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-6-(3-methylbutoxy)-4-(trifluoromethyl)pyridine is CC(C)CCOc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(3-methylbutoxy)-4-(trifluoromethyl)pyridine?
The InChIKey is OLOASFMRHFBYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO/c1-7(2)3-4-17-10-6-8(11(13,14)15)5-9(12)16-10/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-chloro-6-(3-methylbutoxy)-4-(trifluoromethyl)pyridine?
2-chloro-6-(3-methylbutoxy)-4-(trifluoromethyl)pyridine has a molecular weight of 267.68 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-methylbutoxy)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 102715140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).