1-(2-chloro-5-ethyl-3-pyridinyl)-2,2,2-trifluoroethanol

C9H9ClF3NO — CID 59765460

IUPAC1-(2-chloro-5-ethyl-3-pyridinyl)-2,2,2-trifluoroethanol
SMILESCCc1cnc(Cl)c(C(O)C(F)(F)F)c1
InChIInChI=1S/C9H9ClF3NO/c1-2-5-3-6(8(10)14-4-5)7(15)9(11,12)13/h3-4,7,15H,2H2,1H3
InChIKeyXLTHDEXYKVRYOQ-UHFFFAOYSA-N
MW239.62 g/mol
LogP2.89
Rot. Bonds2

About 1-(2-chloro-5-ethyl-3-pyridinyl)-2,2,2-trifluoroethanol

1-(2-chloro-5-ethyl-3-pyridinyl)-2,2,2-trifluoroethanol (PubChem CID 59765460) has the molecular formula C9H9ClF3NO and a molecular weight of 239.62 g/mol. Its IUPAC name is 1-(2-chloro-5-ethyl-3-pyridinyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(2-chloro-5-ethyl-3-pyridinyl)-2,2,2-trifluoroethanol
PubChem CID59765460
Molecular FormulaC9H9ClF3NO
Molecular Weight239.62 g/mol
Exact Mass239.03
IUPAC Name1-(2-chloro-5-ethyl-3-pyridinyl)-2,2,2-trifluoroethanol
SMILESCCc1cnc(Cl)c(C(O)C(F)(F)F)c1
InChIInChI=1S/C9H9ClF3NO/c1-2-5-3-6(8(10)14-4-5)7(15)9(11,12)13/h3-4,7,15H,2H2,1H3
InChIKeyXLTHDEXYKVRYOQ-UHFFFAOYSA-N
XLogP2.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.62
LogP ≤ 52.89
H-Bond Donors ≤ 51
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 1-(2-chloro-5-ethyl-3-pyridinyl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(2-chloro-5-ethyl-3-pyridinyl)-2,2,2-trifluoroethanol (CID 59765460) is 1-(2-chloro-5-ethyl-3-pyridinyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(2-chloro-5-ethyl-3-pyridinyl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(2-chloro-5-ethyl-3-pyridinyl)-2,2,2-trifluoroethanol is CCc1cnc(Cl)c(C(O)C(F)(F)F)c1.
What is the InChIKey of 1-(2-chloro-5-ethyl-3-pyridinyl)-2,2,2-trifluoroethanol?
The InChIKey is XLTHDEXYKVRYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO/c1-2-5-3-6(8(10)14-4-5)7(15)9(11,12)13/h3-4,7,15H,2H2,1H3.
What are the key properties of 1-(2-chloro-5-ethyl-3-pyridinyl)-2,2,2-trifluoroethanol?
1-(2-chloro-5-ethyl-3-pyridinyl)-2,2,2-trifluoroethanol has a molecular weight of 239.62 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-ethyl-3-pyridinyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 59765460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).