2,2,2-trifluoro-N'-(6-fluoro-2-pyridinyl)acetohydrazide

C7H5F4N3O — CID 1479667

IUPAC2,2,2-trifluoro-N'-(6-fluoro-2-pyridinyl)acetohydrazide
SMILESO=C(NNc1cccc(F)n1)C(F)(F)F
InChIInChI=1S/C7H5F4N3O/c8-4-2-1-3-5(12-4)13-14-6(15)7(9,10)11/h1-3H,(H,12,13)(H,14,15)
InChIKeyNQBFRMZXKNAFAR-UHFFFAOYSA-N
MW223.13 g/mol
LogP1.23
Rot. Bonds2

About 2,2,2-trifluoro-N'-(6-fluoro-2-pyridinyl)acetohydrazide

2,2,2-trifluoro-N'-(6-fluoro-2-pyridinyl)acetohydrazide (PubChem CID 1479667) has the molecular formula C7H5F4N3O and a molecular weight of 223.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N'-(6-fluoro-2-pyridinyl)acetohydrazide.

Molecular Properties

Compound Name2,2,2-trifluoro-N'-(6-fluoro-2-pyridinyl)acetohydrazide
PubChem CID1479667
Molecular FormulaC7H5F4N3O
Molecular Weight223.13 g/mol
Exact Mass223.04
IUPAC Name2,2,2-trifluoro-N'-(6-fluoro-2-pyridinyl)acetohydrazide
SMILESO=C(NNc1cccc(F)n1)C(F)(F)F
InChIInChI=1S/C7H5F4N3O/c8-4-2-1-3-5(12-4)13-14-6(15)7(9,10)11/h1-3H,(H,12,13)(H,14,15)
InChIKeyNQBFRMZXKNAFAR-UHFFFAOYSA-N
XLogP1.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.13
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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'-(6-fluoro-2-pyridinyl)acetohydrazide?
The IUPAC name of 2,2,2-trifluoro-N'-(6-fluoro-2-pyridinyl)acetohydrazide (CID 1479667) is 2,2,2-trifluoro-N'-(6-fluoro-2-pyridinyl)acetohydrazide.
What is the SMILES notation for 2,2,2-trifluoro-N'-(6-fluoro-2-pyridinyl)acetohydrazide?
The canonical SMILES for 2,2,2-trifluoro-N'-(6-fluoro-2-pyridinyl)acetohydrazide is O=C(NNc1cccc(F)n1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N'-(6-fluoro-2-pyridinyl)acetohydrazide?
The InChIKey is NQBFRMZXKNAFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4N3O/c8-4-2-1-3-5(12-4)13-14-6(15)7(9,10)11/h1-3H,(H,12,13)(H,14,15).
What are the key properties of 2,2,2-trifluoro-N'-(6-fluoro-2-pyridinyl)acetohydrazide?
2,2,2-trifluoro-N'-(6-fluoro-2-pyridinyl)acetohydrazide has a molecular weight of 223.13 g/mol, XLogP of 1.23, 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'-(6-fluoro-2-pyridinyl)acetohydrazide is sourced from PubChem (CID 1479667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).