2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetic acid

C8H5ClF3NO3 — CID 106971596

IUPAC2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C8H5ClF3NO3/c9-6-3(5(14)7(15)16)1-2-4(13-6)8(10,11)12/h1-2,5,14H,(H,15,16)
InChIKeyLDOVMAHTDYKMQB-UHFFFAOYSA-N
MW255.58 g/mol
LogP1.87
Rot. Bonds2

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

2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetic acid (PubChem CID 106971596) has the molecular formula C8H5ClF3NO3 and a molecular weight of 255.58 g/mol. Its IUPAC name is 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetic acid
PubChem CID106971596
Molecular FormulaC8H5ClF3NO3
Molecular Weight255.58 g/mol
Exact Mass254.99
IUPAC Name2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C8H5ClF3NO3/c9-6-3(5(14)7(15)16)1-2-4(13-6)8(10,11)12/h1-2,5,14H,(H,15,16)
InChIKeyLDOVMAHTDYKMQB-UHFFFAOYSA-N
XLogP1.87
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.58
LogP ≤ 51.87
H-Bond Donors ≤ 52
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 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetic acid (CID 106971596) is 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetic acid?
The InChIKey is LDOVMAHTDYKMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO3/c9-6-3(5(14)7(15)16)1-2-4(13-6)8(10,11)12/h1-2,5,14H,(H,15,16).
What are the key properties of 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetic acid?
2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetic acid has a molecular weight of 255.58 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 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-hydroxyacetic acid is sourced from PubChem (CID 106971596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).