[5-chloro-6-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]hydrazine

C8H9ClF3N3O — CID 62887369

IUPAC[5-chloro-6-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]hydrazine
SMILESNNc1ccc(Cl)c(COCC(F)(F)F)n1
InChIInChI=1S/C8H9ClF3N3O/c9-5-1-2-7(15-13)14-6(5)3-16-4-8(10,11)12/h1-2H,3-4,13H2,(H,14,15)
InChIKeyLXUVHCYZCKBGCN-UHFFFAOYSA-N
MW255.63 g/mol
LogP2.10
Rot. Bonds4

About [5-chloro-6-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]hydrazine

[5-chloro-6-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]hydrazine (PubChem CID 62887369) has the molecular formula C8H9ClF3N3O and a molecular weight of 255.63 g/mol. Its IUPAC name is [5-chloro-6-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[5-chloro-6-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]hydrazine
PubChem CID62887369
Molecular FormulaC8H9ClF3N3O
Molecular Weight255.63 g/mol
Exact Mass255.04
IUPAC Name[5-chloro-6-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]hydrazine
SMILESNNc1ccc(Cl)c(COCC(F)(F)F)n1
InChIInChI=1S/C8H9ClF3N3O/c9-5-1-2-7(15-13)14-6(5)3-16-4-8(10,11)12/h1-2H,3-4,13H2,(H,14,15)
InChIKeyLXUVHCYZCKBGCN-UHFFFAOYSA-N
XLogP2.10
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.63
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 [5-chloro-6-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [5-chloro-6-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]hydrazine (CID 62887369) is [5-chloro-6-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [5-chloro-6-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [5-chloro-6-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]hydrazine is NNc1ccc(Cl)c(COCC(F)(F)F)n1.
What is the InChIKey of [5-chloro-6-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]hydrazine?
The InChIKey is LXUVHCYZCKBGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3O/c9-5-1-2-7(15-13)14-6(5)3-16-4-8(10,11)12/h1-2H,3-4,13H2,(H,14,15).
What are the key properties of [5-chloro-6-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]hydrazine?
[5-chloro-6-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]hydrazine has a molecular weight of 255.63 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 62887369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).