3-bromo-2-(2,2,2-trifluoroethoxy)pyridine-4-carbohydrazide

C8H7BrF3N3O2 — CID 129318987

IUPAC3-bromo-2-(2,2,2-trifluoroethoxy)pyridine-4-carbohydrazide
SMILESNNC(=O)c1ccnc(OCC(F)(F)F)c1Br
InChIInChI=1S/C8H7BrF3N3O2/c9-5-4(6(16)15-13)1-2-14-7(5)17-3-8(10,11)12/h1-2H,3,13H2,(H,15,16)
InChIKeyUGHLXILCXGTCET-UHFFFAOYSA-N
MW314.06 g/mol
LogP1.39
Rot. Bonds3

About 3-bromo-2-(2,2,2-trifluoroethoxy)pyridine-4-carbohydrazide

3-bromo-2-(2,2,2-trifluoroethoxy)pyridine-4-carbohydrazide (PubChem CID 129318987) has the molecular formula C8H7BrF3N3O2 and a molecular weight of 314.06 g/mol. Its IUPAC name is 3-bromo-2-(2,2,2-trifluoroethoxy)pyridine-4-carbohydrazide.

Molecular Properties

Compound Name3-bromo-2-(2,2,2-trifluoroethoxy)pyridine-4-carbohydrazide
PubChem CID129318987
Molecular FormulaC8H7BrF3N3O2
Molecular Weight314.06 g/mol
Exact Mass312.97
IUPAC Name3-bromo-2-(2,2,2-trifluoroethoxy)pyridine-4-carbohydrazide
SMILESNNC(=O)c1ccnc(OCC(F)(F)F)c1Br
InChIInChI=1S/C8H7BrF3N3O2/c9-5-4(6(16)15-13)1-2-14-7(5)17-3-8(10,11)12/h1-2H,3,13H2,(H,15,16)
InChIKeyUGHLXILCXGTCET-UHFFFAOYSA-N
XLogP1.39
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.06
LogP ≤ 51.39
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 3-bromo-2-(2,2,2-trifluoroethoxy)pyridine-4-carbohydrazide?
The IUPAC name of 3-bromo-2-(2,2,2-trifluoroethoxy)pyridine-4-carbohydrazide (CID 129318987) is 3-bromo-2-(2,2,2-trifluoroethoxy)pyridine-4-carbohydrazide.
What is the SMILES notation for 3-bromo-2-(2,2,2-trifluoroethoxy)pyridine-4-carbohydrazide?
The canonical SMILES for 3-bromo-2-(2,2,2-trifluoroethoxy)pyridine-4-carbohydrazide is NNC(=O)c1ccnc(OCC(F)(F)F)c1Br.
What is the InChIKey of 3-bromo-2-(2,2,2-trifluoroethoxy)pyridine-4-carbohydrazide?
The InChIKey is UGHLXILCXGTCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3N3O2/c9-5-4(6(16)15-13)1-2-14-7(5)17-3-8(10,11)12/h1-2H,3,13H2,(H,15,16).
What are the key properties of 3-bromo-2-(2,2,2-trifluoroethoxy)pyridine-4-carbohydrazide?
3-bromo-2-(2,2,2-trifluoroethoxy)pyridine-4-carbohydrazide has a molecular weight of 314.06 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2,2,2-trifluoroethoxy)pyridine-4-carbohydrazide is sourced from PubChem (CID 129318987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).