2-chloro-3-propan-2-yloxy-6-(trifluoromethyl)pyridine

C9H9ClF3NO — CID 170707493

IUPAC2-chloro-3-propan-2-yloxy-6-(trifluoromethyl)pyridine
SMILESCC(C)Oc1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C9H9ClF3NO/c1-5(2)15-6-3-4-7(9(11,12)13)14-8(6)10/h3-5H,1-2H3
InChIKeySHQXKCUSNWJRSC-UHFFFAOYSA-N
MW239.62 g/mol
LogP3.54
Rot. Bonds2

About 2-chloro-3-propan-2-yloxy-6-(trifluoromethyl)pyridine

2-chloro-3-propan-2-yloxy-6-(trifluoromethyl)pyridine (PubChem CID 170707493) has the molecular formula C9H9ClF3NO and a molecular weight of 239.62 g/mol. Its IUPAC name is 2-chloro-3-propan-2-yloxy-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-3-propan-2-yloxy-6-(trifluoromethyl)pyridine
PubChem CID170707493
Molecular FormulaC9H9ClF3NO
Molecular Weight239.62 g/mol
Exact Mass239.03
IUPAC Name2-chloro-3-propan-2-yloxy-6-(trifluoromethyl)pyridine
SMILESCC(C)Oc1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C9H9ClF3NO/c1-5(2)15-6-3-4-7(9(11,12)13)14-8(6)10/h3-5H,1-2H3
InChIKeySHQXKCUSNWJRSC-UHFFFAOYSA-N
XLogP3.54
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.62
LogP ≤ 53.54
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-3-propan-2-yloxy-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-3-propan-2-yloxy-6-(trifluoromethyl)pyridine (CID 170707493) is 2-chloro-3-propan-2-yloxy-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-3-propan-2-yloxy-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-3-propan-2-yloxy-6-(trifluoromethyl)pyridine is CC(C)Oc1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of 2-chloro-3-propan-2-yloxy-6-(trifluoromethyl)pyridine?
The InChIKey is SHQXKCUSNWJRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO/c1-5(2)15-6-3-4-7(9(11,12)13)14-8(6)10/h3-5H,1-2H3.
What are the key properties of 2-chloro-3-propan-2-yloxy-6-(trifluoromethyl)pyridine?
2-chloro-3-propan-2-yloxy-6-(trifluoromethyl)pyridine has a molecular weight of 239.62 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-propan-2-yloxy-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 170707493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).