2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetic acid

C8H6F3N3O3 — CID 151382008

IUPAC2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetic acid
SMILESO=C(O)C(=O)NNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C8H6F3N3O3/c9-8(10,11)4-1-2-5(12-3-4)13-14-6(15)7(16)17/h1-3H,(H,12,13)(H,14,15)(H,16,17)
InChIKeyOSPNNLBSYXBUMP-UHFFFAOYSA-N
MW249.15 g/mol
LogP0.63
Rot. Bonds2

About 2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetic acid

2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetic acid (PubChem CID 151382008) has the molecular formula C8H6F3N3O3 and a molecular weight of 249.15 g/mol. Its IUPAC name is 2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetic acid.

Molecular Properties

Compound Name2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetic acid
PubChem CID151382008
Molecular FormulaC8H6F3N3O3
Molecular Weight249.15 g/mol
Exact Mass249.04
IUPAC Name2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetic acid
SMILESO=C(O)C(=O)NNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C8H6F3N3O3/c9-8(10,11)4-1-2-5(12-3-4)13-14-6(15)7(16)17/h1-3H,(H,12,13)(H,14,15)(H,16,17)
InChIKeyOSPNNLBSYXBUMP-UHFFFAOYSA-N
XLogP0.63
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetate
CID 151382007
[5-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 1477642
2-ethoxy-N'-[5-(trifluoromethyl)-2-pyridinyl]pyridine-3-carbohydrazide
CID 2417273
3-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentane-1-carboxylic acid
CID 66032182
N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 84554131
4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79216388
2-chloro-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzoic acid
CID 60862551
N-(3-methylbutan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 43084333
(2S)-2-hydroxy-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 100650710
5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide
CID 114162427
methyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 60631959
4-tert-butyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
CID 8505628

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetic acid?
The IUPAC name of 2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetic acid (CID 151382008) is 2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetic acid.
What is the SMILES notation for 2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetic acid?
The canonical SMILES for 2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetic acid is O=C(O)C(=O)NNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetic acid?
The InChIKey is OSPNNLBSYXBUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O3/c9-8(10,11)4-1-2-5(12-3-4)13-14-6(15)7(16)17/h1-3H,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of 2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetic acid?
2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetic acid has a molecular weight of 249.15 g/mol, XLogP of 0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetic acid is sourced from PubChem (CID 151382008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).