pyridine-3-carbohydrazide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate

C10H7F6N3O4 — CID 161305630

IUPACpyridine-3-carbohydrazide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
SMILESNNC(=O)c1cccnc1.O=C(OC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7N3O.C4F6O3/c7-9-6(10)5-2-1-3-8-4-5;5-3(6,7)1(11)13-2(12)4(8,9)10/h1-4H,7H2,(H,9,10);
InChIKeyVIFARIWGYBRJJR-UHFFFAOYSA-N
MW347.17 g/mol
LogP0.87
Rot. Bonds1

About pyridine-3-carbohydrazide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate

pyridine-3-carbohydrazide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate (PubChem CID 161305630) has the molecular formula C10H7F6N3O4 and a molecular weight of 347.17 g/mol. Its IUPAC name is pyridine-3-carbohydrazide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Namepyridine-3-carbohydrazide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
PubChem CID161305630
Molecular FormulaC10H7F6N3O4
Molecular Weight347.17 g/mol
Exact Mass347.03
IUPAC Namepyridine-3-carbohydrazide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
SMILESNNC(=O)c1cccnc1.O=C(OC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7N3O.C4F6O3/c7-9-6(10)5-2-1-3-8-4-5;5-3(6,7)1(11)13-2(12)4(8,9)10/h1-4H,7H2,(H,9,10);
InChIKeyVIFARIWGYBRJJR-UHFFFAOYSA-N
XLogP0.87
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2,2,2-trifluoroacetate;pyridine-3-carboxylic acid
CID 159414829
N-(2-hydrazinyl-2-oxoethyl)pyridine-3-carboxamide
CID 39070404
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435
4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione;hydrochloride
CID 163330137
3-oxo-3-pyridin-3-ylpropanehydrazide
CID 150015439
N-methylpyridine-3-carboxamide chloride
CID 20976730
N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane
CID 139199292
2-aminoethyl pyridine-3-carboxylate;2,2,2-trifluoroacetic acid
CID 174924266
hydrazinyl pyridine-3-carboxylate
CID 22603598
(pyridine-3-carbonylamino)methyl butanoate
CID 138705851
N-propan-2-yloxypyridine-3-carboxamide;hydrochloride
CID 3028390
(3-fluoro-3-methylbutyl) pyridine-3-carboxylate
CID 146343265

Frequently Asked Questions

What is the IUPAC name of pyridine-3-carbohydrazide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate?
The IUPAC name of pyridine-3-carbohydrazide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate (CID 161305630) is pyridine-3-carbohydrazide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate.
What is the SMILES notation for pyridine-3-carbohydrazide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate?
The canonical SMILES for pyridine-3-carbohydrazide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate is NNC(=O)c1cccnc1.O=C(OC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of pyridine-3-carbohydrazide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate?
The InChIKey is VIFARIWGYBRJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O.C4F6O3/c7-9-6(10)5-2-1-3-8-4-5;5-3(6,7)1(11)13-2(12)4(8,9)10/h1-4H,7H2,(H,9,10);.
What are the key properties of pyridine-3-carbohydrazide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate?
pyridine-3-carbohydrazide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate has a molecular weight of 347.17 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-3-carbohydrazide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 161305630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).