3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbohydrazide

C7H5F3N4O4 — CID 175456068

IUPAC3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbohydrazide
SMILESNNC(=O)c1[nH]c(=O)c(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H5F3N4O4/c8-7(9,10)2-1-3(14(17)18)4(6(16)13-11)12-5(2)15/h1H,11H2,(H,12,15)(H,13,16)
InChIKeyWPIGLSBAFWUQDQ-UHFFFAOYSA-N
MW266.13 g/mol
LogP-0.09
Rot. Bonds2

About 3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbohydrazide

3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbohydrazide (PubChem CID 175456068) has the molecular formula C7H5F3N4O4 and a molecular weight of 266.13 g/mol. Its IUPAC name is 3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbohydrazide.

Molecular Properties

Compound Name3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbohydrazide
PubChem CID175456068
Molecular FormulaC7H5F3N4O4
Molecular Weight266.13 g/mol
Exact Mass266.03
IUPAC Name3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbohydrazide
SMILESNNC(=O)c1[nH]c(=O)c(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H5F3N4O4/c8-7(9,10)2-1-3(14(17)18)4(6(16)13-11)12-5(2)15/h1H,11H2,(H,12,15)(H,13,16)
InChIKeyWPIGLSBAFWUQDQ-UHFFFAOYSA-N
XLogP-0.09
TPSA131.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid;rhenium
CID 169126136
4-nitro-2,5-bis(trifluoromethyl)aniline
CID 121234795
ethyl 6-nitro-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate
CID 18536756
7-nitro-5-(trifluoromethyl)-1,3-benzothiazole-2-carbohydrazide
CID 175982196
azane;4-nitro-3-(trifluoromethyl)phenol
CID 171929211
3-[4-nitro-3-(trifluoromethyl)anilino]propanamide
CID 43553692
methyl 5-hydroxy-2-nitro-4-(trifluoromethyl)benzoate
CID 15109491
2-[4-fluoro-2-nitro-6-(trifluoromethyl)phenyl]acetamide
CID 91316298
[4-methyl-2-nitro-5-(trifluoromethyl)phenyl]methanol
CID 131328443
5-bromo-N-methyl-2-nitro-4-(trifluoromethyl)aniline
CID 170917565
[4-bromo-2-nitro-5-(trifluoromethyl)phenyl]methanamine
CID 171011832
[5-fluoro-2-nitro-4-(trifluoromethyl)phenyl]thiourea
CID 169357413

Frequently Asked Questions

What is the IUPAC name of 3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbohydrazide?
The IUPAC name of 3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbohydrazide (CID 175456068) is 3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbohydrazide.
What is the SMILES notation for 3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbohydrazide?
The canonical SMILES for 3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbohydrazide is NNC(=O)c1[nH]c(=O)c(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbohydrazide?
The InChIKey is WPIGLSBAFWUQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4O4/c8-7(9,10)2-1-3(14(17)18)4(6(16)13-11)12-5(2)15/h1H,11H2,(H,12,15)(H,13,16).
What are the key properties of 3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbohydrazide?
3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbohydrazide has a molecular weight of 266.13 g/mol, XLogP of -0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbohydrazide is sourced from PubChem (CID 175456068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).