4-nitro-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]benzohydrazide

C15H11F3N4O5 — CID 27678295

IUPAC4-nitro-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]benzohydrazide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11F3N4O5/c16-15(17,18)10-3-6-13(24)21(7-10)8-12(23)19-20-14(25)9-1-4-11(5-2-9)22(26)27/h1-7H,8H2,(H,19,23)(H,20,25)
InChIKeyGNMKQUBPXBKJNF-UHFFFAOYSA-N
MW384.27 g/mol
LogP1.24
Rot. Bonds4

About 4-nitro-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]benzohydrazide

4-nitro-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]benzohydrazide (PubChem CID 27678295) has the molecular formula C15H11F3N4O5 and a molecular weight of 384.27 g/mol. Its IUPAC name is 4-nitro-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]benzohydrazide.

Molecular Properties

Compound Name4-nitro-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]benzohydrazide
PubChem CID27678295
Molecular FormulaC15H11F3N4O5
Molecular Weight384.27 g/mol
Exact Mass384.07
IUPAC Name4-nitro-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]benzohydrazide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11F3N4O5/c16-15(17,18)10-3-6-13(24)21(7-10)8-12(23)19-20-14(25)9-1-4-11(5-2-9)22(26)27/h1-7H,8H2,(H,19,23)(H,20,25)
InChIKeyGNMKQUBPXBKJNF-UHFFFAOYSA-N
XLogP1.24
TPSA123.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-nitro-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]benzohydrazide?
The IUPAC name of 4-nitro-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]benzohydrazide (CID 27678295) is 4-nitro-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]benzohydrazide.
What is the SMILES notation for 4-nitro-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]benzohydrazide?
The canonical SMILES for 4-nitro-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]benzohydrazide is O=C(Cn1cc(C(F)(F)F)ccc1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]benzohydrazide?
The InChIKey is GNMKQUBPXBKJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O5/c16-15(17,18)10-3-6-13(24)21(7-10)8-12(23)19-20-14(25)9-1-4-11(5-2-9)22(26)27/h1-7H,8H2,(H,19,23)(H,20,25).
What are the key properties of 4-nitro-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]benzohydrazide?
4-nitro-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]benzohydrazide has a molecular weight of 384.27 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]benzohydrazide is sourced from PubChem (CID 27678295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).