2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetaldehyde

C8H5ClF3NO2 — CID 106971598

IUPAC2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetaldehyde
SMILESO=CC(O)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C8H5ClF3NO2/c9-7-4(5(15)3-14)1-2-6(13-7)8(10,11)12/h1-3,5,15H
InChIKeyQCGNQRFCVHYZOT-UHFFFAOYSA-N
MW239.58 g/mol
LogP1.99
Rot. Bonds2

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

2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetaldehyde (PubChem CID 106971598) has the molecular formula C8H5ClF3NO2 and a molecular weight of 239.58 g/mol. Its IUPAC name is 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetaldehyde.

Molecular Properties

Compound Name2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetaldehyde
PubChem CID106971598
Molecular FormulaC8H5ClF3NO2
Molecular Weight239.58 g/mol
Exact Mass239.00
IUPAC Name2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetaldehyde
SMILESO=CC(O)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C8H5ClF3NO2/c9-7-4(5(15)3-14)1-2-6(13-7)8(10,11)12/h1-3,5,15H
InChIKeyQCGNQRFCVHYZOT-UHFFFAOYSA-N
XLogP1.99
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.58
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetaldehyde?
The IUPAC name of 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetaldehyde (CID 106971598) is 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetaldehyde.
What is the SMILES notation for 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetaldehyde?
The canonical SMILES for 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetaldehyde is O=CC(O)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetaldehyde?
The InChIKey is QCGNQRFCVHYZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO2/c9-7-4(5(15)3-14)1-2-6(13-7)8(10,11)12/h1-3,5,15H.
What are the key properties of 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetaldehyde?
2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetaldehyde has a molecular weight of 239.58 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetaldehyde is sourced from PubChem (CID 106971598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).