2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetate

C8H5F3N3O3- — CID 151382007

IUPAC2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetate
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)/p-1
InChIKeyOSPNNLBSYXBUMP-UHFFFAOYSA-M
MW248.14 g/mol
LogP-0.71
Rot. Bonds2

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

2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetate (PubChem CID 151382007) has the molecular formula C8H5F3N3O3- and a molecular weight of 248.14 g/mol. Its IUPAC name is 2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetate.

Molecular Properties

Compound Name2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetate
PubChem CID151382007
Molecular FormulaC8H5F3N3O3-
Molecular Weight248.14 g/mol
Exact Mass248.03
IUPAC Name2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetate
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)/p-1
InChIKeyOSPNNLBSYXBUMP-UHFFFAOYSA-M
XLogP-0.71
TPSA94.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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]acetic acid
CID 151382008
[5-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 1477642
2-ethoxy-N'-[5-(trifluoromethyl)-2-pyridinyl]pyridine-3-carbohydrazide
CID 2417273
4-tert-butyl-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
CID 8505628
N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 84554131
2-methyl-2-propan-2-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 59703999
(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
5-amino-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 24896989
N-(5-bromopyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115692921
2,2,2-trifluoro-N'-(5-iodo-2-pyridinyl)acetohydrazide
CID 21071710

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetate?
The IUPAC name of 2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetate (CID 151382007) is 2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetate.
What is the SMILES notation for 2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetate?
The canonical SMILES for 2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetate 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]acetate?
The InChIKey is OSPNNLBSYXBUMP-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetate?
2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetate has a molecular weight of 248.14 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetate is sourced from PubChem (CID 151382007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).