N'-(5-bromopyrimidin-2-yl)-2,2,2-trifluoroacetohydrazide

C6H4BrF3N4O — CID 134555612

IUPACN'-(5-bromopyrimidin-2-yl)-2,2,2-trifluoroacetohydrazide
SMILESO=C(NNc1ncc(Br)cn1)C(F)(F)F
InChIInChI=1S/C6H4BrF3N4O/c7-3-1-11-5(12-2-3)14-13-4(15)6(8,9)10/h1-2H,(H,13,15)(H,11,12,14)
InChIKeyVZPJEQCSRFUCPL-UHFFFAOYSA-N
MW285.02 g/mol
LogP1.24
Rot. Bonds2

About N'-(5-bromopyrimidin-2-yl)-2,2,2-trifluoroacetohydrazide

N'-(5-bromopyrimidin-2-yl)-2,2,2-trifluoroacetohydrazide (PubChem CID 134555612) has the molecular formula C6H4BrF3N4O and a molecular weight of 285.02 g/mol. Its IUPAC name is N'-(5-bromopyrimidin-2-yl)-2,2,2-trifluoroacetohydrazide.

Molecular Properties

Compound NameN'-(5-bromopyrimidin-2-yl)-2,2,2-trifluoroacetohydrazide
PubChem CID134555612
Molecular FormulaC6H4BrF3N4O
Molecular Weight285.02 g/mol
Exact Mass283.95
IUPAC NameN'-(5-bromopyrimidin-2-yl)-2,2,2-trifluoroacetohydrazide
SMILESO=C(NNc1ncc(Br)cn1)C(F)(F)F
InChIInChI=1S/C6H4BrF3N4O/c7-3-1-11-5(12-2-3)14-13-4(15)6(8,9)10/h1-2H,(H,13,15)(H,11,12,14)
InChIKeyVZPJEQCSRFUCPL-UHFFFAOYSA-N
XLogP1.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.02
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(5-bromopyrimidin-2-yl)-2,2,2-trifluoroacetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromopyrimidin-2-yl)-2,2,2-trifluoroacetohydrazide?
The IUPAC name of N'-(5-bromopyrimidin-2-yl)-2,2,2-trifluoroacetohydrazide (CID 134555612) is N'-(5-bromopyrimidin-2-yl)-2,2,2-trifluoroacetohydrazide.
What is the SMILES notation for N'-(5-bromopyrimidin-2-yl)-2,2,2-trifluoroacetohydrazide?
The canonical SMILES for N'-(5-bromopyrimidin-2-yl)-2,2,2-trifluoroacetohydrazide is O=C(NNc1ncc(Br)cn1)C(F)(F)F.
What is the InChIKey of N'-(5-bromopyrimidin-2-yl)-2,2,2-trifluoroacetohydrazide?
The InChIKey is VZPJEQCSRFUCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF3N4O/c7-3-1-11-5(12-2-3)14-13-4(15)6(8,9)10/h1-2H,(H,13,15)(H,11,12,14).
What are the key properties of N'-(5-bromopyrimidin-2-yl)-2,2,2-trifluoroacetohydrazide?
N'-(5-bromopyrimidin-2-yl)-2,2,2-trifluoroacetohydrazide has a molecular weight of 285.02 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromopyrimidin-2-yl)-2,2,2-trifluoroacetohydrazide is sourced from PubChem (CID 134555612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).