N'-(2-bromobenzoyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide

C15H11BrF3N3O3 — CID 31853242

IUPACN'-(2-bromobenzoyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cccnc1OCC(F)(F)F)c1ccccc1Br
InChIInChI=1S/C15H11BrF3N3O3/c16-11-6-2-1-4-9(11)12(23)21-22-13(24)10-5-3-7-20-14(10)25-8-15(17,18)19/h1-7H,8H2,(H,21,23)(H,22,24)
InChIKeyZUNXZKBLFPYPPK-UHFFFAOYSA-N
MW418.17 g/mol
LogP2.86
Rot. Bonds4

About N'-(2-bromobenzoyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide

N'-(2-bromobenzoyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide (PubChem CID 31853242) has the molecular formula C15H11BrF3N3O3 and a molecular weight of 418.17 g/mol. Its IUPAC name is N'-(2-bromobenzoyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-bromobenzoyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
PubChem CID31853242
Molecular FormulaC15H11BrF3N3O3
Molecular Weight418.17 g/mol
Exact Mass416.99
IUPAC NameN'-(2-bromobenzoyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cccnc1OCC(F)(F)F)c1ccccc1Br
InChIInChI=1S/C15H11BrF3N3O3/c16-11-6-2-1-4-9(11)12(23)21-22-13(24)10-5-3-7-20-14(10)25-8-15(17,18)19/h1-7H,8H2,(H,21,23)(H,22,24)
InChIKeyZUNXZKBLFPYPPK-UHFFFAOYSA-N
XLogP2.86
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.17
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(2-bromobenzoyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2-fluorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31900375
N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
CID 47024237
N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 86925855
N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31848498
N-piperidin-3-yl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119428934
N'-(2-bromobenzoyl)pyridine-2-carbohydrazide
CID 26533733
N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride
CID 119514467
N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 2727206
N-(3-acetylphenyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31884754
N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 111447628
N-[(6-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 87041610
N-(3-propan-2-yloxypropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 86926030

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromobenzoyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide?
The IUPAC name of N'-(2-bromobenzoyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide (CID 31853242) is N'-(2-bromobenzoyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(2-bromobenzoyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide?
The canonical SMILES for N'-(2-bromobenzoyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide is O=C(NNC(=O)c1cccnc1OCC(F)(F)F)c1ccccc1Br.
What is the InChIKey of N'-(2-bromobenzoyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide?
The InChIKey is ZUNXZKBLFPYPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF3N3O3/c16-11-6-2-1-4-9(11)12(23)21-22-13(24)10-5-3-7-20-14(10)25-8-15(17,18)19/h1-7H,8H2,(H,21,23)(H,22,24).
What are the key properties of N'-(2-bromobenzoyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide?
N'-(2-bromobenzoyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide has a molecular weight of 418.17 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromobenzoyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide is sourced from PubChem (CID 31853242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).