N'-(6-chloro-2-pyridinyl)-2,2,2-trifluoroacetohydrazide

C7H5ClF3N3O — CID 1485932

IUPACN'-(6-chloro-2-pyridinyl)-2,2,2-trifluoroacetohydrazide
SMILESO=C(NNc1cccc(Cl)n1)C(F)(F)F
InChIInChI=1S/C7H5ClF3N3O/c8-4-2-1-3-5(12-4)13-14-6(15)7(9,10)11/h1-3H,(H,12,13)(H,14,15)
InChIKeyQRAYHZDCSNKYGQ-UHFFFAOYSA-N
MW239.58 g/mol
LogP1.74
Rot. Bonds2

About N'-(6-chloro-2-pyridinyl)-2,2,2-trifluoroacetohydrazide

N'-(6-chloro-2-pyridinyl)-2,2,2-trifluoroacetohydrazide (PubChem CID 1485932) has the molecular formula C7H5ClF3N3O and a molecular weight of 239.58 g/mol. Its IUPAC name is N'-(6-chloro-2-pyridinyl)-2,2,2-trifluoroacetohydrazide.

Molecular Properties

Compound NameN'-(6-chloro-2-pyridinyl)-2,2,2-trifluoroacetohydrazide
PubChem CID1485932
Molecular FormulaC7H5ClF3N3O
Molecular Weight239.58 g/mol
Exact Mass239.01
IUPAC NameN'-(6-chloro-2-pyridinyl)-2,2,2-trifluoroacetohydrazide
SMILESO=C(NNc1cccc(Cl)n1)C(F)(F)F
InChIInChI=1S/C7H5ClF3N3O/c8-4-2-1-3-5(12-4)13-14-6(15)7(9,10)11/h1-3H,(H,12,13)(H,14,15)
InChIKeyQRAYHZDCSNKYGQ-UHFFFAOYSA-N
XLogP1.74
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.58
LogP ≤ 51.74
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 N'-(6-chloro-2-pyridinyl)-2,2,2-trifluoroacetohydrazide?
The IUPAC name of N'-(6-chloro-2-pyridinyl)-2,2,2-trifluoroacetohydrazide (CID 1485932) is N'-(6-chloro-2-pyridinyl)-2,2,2-trifluoroacetohydrazide.
What is the SMILES notation for N'-(6-chloro-2-pyridinyl)-2,2,2-trifluoroacetohydrazide?
The canonical SMILES for N'-(6-chloro-2-pyridinyl)-2,2,2-trifluoroacetohydrazide is O=C(NNc1cccc(Cl)n1)C(F)(F)F.
What is the InChIKey of N'-(6-chloro-2-pyridinyl)-2,2,2-trifluoroacetohydrazide?
The InChIKey is QRAYHZDCSNKYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3N3O/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 N'-(6-chloro-2-pyridinyl)-2,2,2-trifluoroacetohydrazide?
N'-(6-chloro-2-pyridinyl)-2,2,2-trifluoroacetohydrazide has a molecular weight of 239.58 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-2-pyridinyl)-2,2,2-trifluoroacetohydrazide is sourced from PubChem (CID 1485932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).