[5-(trifluoromethyl)-2-pyridinyl] 2-hydroxyacetate

C8H6F3NO3 — CID 86171784

IUPAC[5-(trifluoromethyl)-2-pyridinyl] 2-hydroxyacetate
SMILESO=C(CO)Oc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C8H6F3NO3/c9-8(10,11)5-1-2-6(12-3-5)15-7(14)4-13/h1-3,13H,4H2
InChIKeyVKSMCTIWMRMDQQ-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.00
Rot. Bonds2

About [5-(trifluoromethyl)-2-pyridinyl] 2-hydroxyacetate

[5-(trifluoromethyl)-2-pyridinyl] 2-hydroxyacetate (PubChem CID 86171784) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is [5-(trifluoromethyl)-2-pyridinyl] 2-hydroxyacetate.

Molecular Properties

Compound Name[5-(trifluoromethyl)-2-pyridinyl] 2-hydroxyacetate
PubChem CID86171784
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name[5-(trifluoromethyl)-2-pyridinyl] 2-hydroxyacetate
SMILESO=C(CO)Oc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C8H6F3NO3/c9-8(10,11)5-1-2-6(12-3-5)15-7(14)4-13/h1-3,13H,4H2
InChIKeyVKSMCTIWMRMDQQ-UHFFFAOYSA-N
XLogP1.00
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate
CID 139703755
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine
CID 57449137
ethane;2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 143180631
2-methylsulfanyloxy-5-(trifluoromethyl)pyridine
CID 129204089
3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine
CID 22175085
(5-tert-butyl-2-pyridinyl) hydrogen carbonate
CID 118071933
N-methyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetamide
CID 100689832
[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-(hydroxymethyl)piperidine-1-carboxylate
CID 23636024
(4-acetylphenyl) 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
CID 27873697
methyl 3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
CID 27006966
2-propan-2-yloxy-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 105117081

Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-2-pyridinyl] 2-hydroxyacetate?
The IUPAC name of [5-(trifluoromethyl)-2-pyridinyl] 2-hydroxyacetate (CID 86171784) is [5-(trifluoromethyl)-2-pyridinyl] 2-hydroxyacetate.
What is the SMILES notation for [5-(trifluoromethyl)-2-pyridinyl] 2-hydroxyacetate?
The canonical SMILES for [5-(trifluoromethyl)-2-pyridinyl] 2-hydroxyacetate is O=C(CO)Oc1ccc(C(F)(F)F)cn1.
What is the InChIKey of [5-(trifluoromethyl)-2-pyridinyl] 2-hydroxyacetate?
The InChIKey is VKSMCTIWMRMDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c9-8(10,11)5-1-2-6(12-3-5)15-7(14)4-13/h1-3,13H,4H2.
What are the key properties of [5-(trifluoromethyl)-2-pyridinyl] 2-hydroxyacetate?
[5-(trifluoromethyl)-2-pyridinyl] 2-hydroxyacetate has a molecular weight of 221.13 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-2-pyridinyl] 2-hydroxyacetate is sourced from PubChem (CID 86171784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).