2,2,2-trifluoro-N'-(5-iodo-2-pyridinyl)acetohydrazide

C7H5F3IN3O — CID 21071710

IUPAC2,2,2-trifluoro-N'-(5-iodo-2-pyridinyl)acetohydrazide
SMILESO=C(NNc1ccc(I)cn1)C(F)(F)F
InChIInChI=1S/C7H5F3IN3O/c8-7(9,10)6(15)14-13-5-2-1-4(11)3-12-5/h1-3H,(H,12,13)(H,14,15)
InChIKeyDWYPQYZGLPMGBI-UHFFFAOYSA-N
MW331.04 g/mol
LogP1.69
Rot. Bonds2

About 2,2,2-trifluoro-N'-(5-iodo-2-pyridinyl)acetohydrazide

2,2,2-trifluoro-N'-(5-iodo-2-pyridinyl)acetohydrazide (PubChem CID 21071710) has the molecular formula C7H5F3IN3O and a molecular weight of 331.04 g/mol. Its IUPAC name is 2,2,2-trifluoro-N'-(5-iodo-2-pyridinyl)acetohydrazide.

Molecular Properties

Compound Name2,2,2-trifluoro-N'-(5-iodo-2-pyridinyl)acetohydrazide
PubChem CID21071710
Molecular FormulaC7H5F3IN3O
Molecular Weight331.04 g/mol
Exact Mass330.94
IUPAC Name2,2,2-trifluoro-N'-(5-iodo-2-pyridinyl)acetohydrazide
SMILESO=C(NNc1ccc(I)cn1)C(F)(F)F
InChIInChI=1S/C7H5F3IN3O/c8-7(9,10)6(15)14-13-5-2-1-4(11)3-12-5/h1-3H,(H,12,13)(H,14,15)
InChIKeyDWYPQYZGLPMGBI-UHFFFAOYSA-N
XLogP1.69
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.04
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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 2,2,2-trifluoro-N'-(5-iodo-2-pyridinyl)acetohydrazide?
The IUPAC name of 2,2,2-trifluoro-N'-(5-iodo-2-pyridinyl)acetohydrazide (CID 21071710) is 2,2,2-trifluoro-N'-(5-iodo-2-pyridinyl)acetohydrazide.
What is the SMILES notation for 2,2,2-trifluoro-N'-(5-iodo-2-pyridinyl)acetohydrazide?
The canonical SMILES for 2,2,2-trifluoro-N'-(5-iodo-2-pyridinyl)acetohydrazide is O=C(NNc1ccc(I)cn1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N'-(5-iodo-2-pyridinyl)acetohydrazide?
The InChIKey is DWYPQYZGLPMGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3IN3O/c8-7(9,10)6(15)14-13-5-2-1-4(11)3-12-5/h1-3H,(H,12,13)(H,14,15).
What are the key properties of 2,2,2-trifluoro-N'-(5-iodo-2-pyridinyl)acetohydrazide?
2,2,2-trifluoro-N'-(5-iodo-2-pyridinyl)acetohydrazide has a molecular weight of 331.04 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N'-(5-iodo-2-pyridinyl)acetohydrazide is sourced from PubChem (CID 21071710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).