2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetohydrazide

C8H7ClF3N3O2 — CID 7131166

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetohydrazide
SMILESNNC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C8H7ClF3N3O2/c9-5-1-4(8(10,11)12)2-15(7(5)17)3-6(16)14-13/h1-2H,3,13H2,(H,14,16)
InChIKeyUSZGEUURPOALEK-UHFFFAOYSA-N
MW269.61 g/mol
LogP0.51
Rot. Bonds2

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetohydrazide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetohydrazide (PubChem CID 7131166) has the molecular formula C8H7ClF3N3O2 and a molecular weight of 269.61 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetohydrazide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetohydrazide
PubChem CID7131166
Molecular FormulaC8H7ClF3N3O2
Molecular Weight269.61 g/mol
Exact Mass269.02
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetohydrazide
SMILESNNC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C8H7ClF3N3O2/c9-5-1-4(8(10,11)12)2-15(7(5)17)3-6(16)14-13/h1-2H,3,13H2,(H,14,16)
InChIKeyUSZGEUURPOALEK-UHFFFAOYSA-N
XLogP0.51
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.61
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetohydrazide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetohydrazide (CID 7131166) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetohydrazide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetohydrazide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetohydrazide is NNC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetohydrazide?
The InChIKey is USZGEUURPOALEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N3O2/c9-5-1-4(8(10,11)12)2-15(7(5)17)3-6(16)14-13/h1-2H,3,13H2,(H,14,16).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetohydrazide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetohydrazide has a molecular weight of 269.61 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetohydrazide is sourced from PubChem (CID 7131166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).