1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-methoxyethanol

C9H9ClF3NO2 — CID 106972109

IUPAC1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-methoxyethanol
SMILESCOCC(O)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C9H9ClF3NO2/c1-16-4-6(15)5-2-3-7(9(11,12)13)14-8(5)10/h2-3,6,15H,4H2,1H3
InChIKeyZOJKJGVVACLCPU-UHFFFAOYSA-N
MW255.62 g/mol
LogP2.43
Rot. Bonds3

About 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-methoxyethanol

1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-methoxyethanol (PubChem CID 106972109) has the molecular formula C9H9ClF3NO2 and a molecular weight of 255.62 g/mol. Its IUPAC name is 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-methoxyethanol.

Molecular Properties

Compound Name1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-methoxyethanol
PubChem CID106972109
Molecular FormulaC9H9ClF3NO2
Molecular Weight255.62 g/mol
Exact Mass255.03
IUPAC Name1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-methoxyethanol
SMILESCOCC(O)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C9H9ClF3NO2/c1-16-4-6(15)5-2-3-7(9(11,12)13)14-8(5)10/h2-3,6,15H,4H2,1H3
InChIKeyZOJKJGVVACLCPU-UHFFFAOYSA-N
XLogP2.43
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.62
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-methoxyethanol?
The IUPAC name of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-methoxyethanol (CID 106972109) is 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-methoxyethanol.
What is the SMILES notation for 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-methoxyethanol?
The canonical SMILES for 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-methoxyethanol is COCC(O)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-methoxyethanol?
The InChIKey is ZOJKJGVVACLCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO2/c1-16-4-6(15)5-2-3-7(9(11,12)13)14-8(5)10/h2-3,6,15H,4H2,1H3.
What are the key properties of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-methoxyethanol?
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-methoxyethanol has a molecular weight of 255.62 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-methoxyethanol is sourced from PubChem (CID 106972109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).