N'-[2-(4-bromophenoxy)acetyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carbohydrazide

C16H13BrF3N3O3 — CID 78852321

IUPACN'-[2-(4-bromophenoxy)acetyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carbohydrazide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C16H13BrF3N3O3/c1-9-12(6-7-13(21-9)16(18,19)20)15(25)23-22-14(24)8-26-11-4-2-10(17)3-5-11/h2-7H,8H2,1H3,(H,22,24)(H,23,25)
InChIKeyRWMQHZHNWHLXNS-UHFFFAOYSA-N
MW432.20 g/mol
LogP3.01
Rot. Bonds4

About N'-[2-(4-bromophenoxy)acetyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carbohydrazide

N'-[2-(4-bromophenoxy)acetyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carbohydrazide (PubChem CID 78852321) has the molecular formula C16H13BrF3N3O3 and a molecular weight of 432.20 g/mol. Its IUPAC name is N'-[2-(4-bromophenoxy)acetyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromophenoxy)acetyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carbohydrazide
PubChem CID78852321
Molecular FormulaC16H13BrF3N3O3
Molecular Weight432.20 g/mol
Exact Mass431.01
IUPAC NameN'-[2-(4-bromophenoxy)acetyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carbohydrazide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C16H13BrF3N3O3/c1-9-12(6-7-13(21-9)16(18,19)20)15(25)23-22-14(24)8-26-11-4-2-10(17)3-5-11/h2-7H,8H2,1H3,(H,22,24)(H,23,25)
InChIKeyRWMQHZHNWHLXNS-UHFFFAOYSA-N
XLogP3.01
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.20
LogP ≤ 53.01
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-(4-bromophenoxy)acetyl]-2-methyl-6-(trifluoromethyl)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

2,6-dimethyl-N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 78895668
N'-[2-(4-bromophenoxy)acetyl]-7-fluoro-2-methylquinoline-4-carbohydrazide
CID 78859425
2-methyl-6-(trifluoromethyl)-N'-[4-(trifluoromethyl)benzoyl]pyridine-3-carbohydrazide
CID 2795935
N'-(2-hydroxybenzoyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carbohydrazide
CID 31978231
ethyl 4-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 54790917
1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 2782900
5-bromo-N'-[2-(3,4-dimethylphenoxy)acetyl]-2-fluorobenzohydrazide
CID 26846108
5-bromo-2-(2-methoxyethoxy)-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 17357334
N-(4-acetamidophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31847359
4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 4811581
N-cyclohexyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31852499
3-bromo-N'-[2-(4-bromophenoxy)acetyl]-5-fluorobenzohydrazide
CID 78877450

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carbohydrazide?
The IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carbohydrazide (CID 78852321) is N'-[2-(4-bromophenoxy)acetyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-bromophenoxy)acetyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-bromophenoxy)acetyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carbohydrazide is Cc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)COc1ccc(Br)cc1.
What is the InChIKey of N'-[2-(4-bromophenoxy)acetyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carbohydrazide?
The InChIKey is RWMQHZHNWHLXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF3N3O3/c1-9-12(6-7-13(21-9)16(18,19)20)15(25)23-22-14(24)8-26-11-4-2-10(17)3-5-11/h2-7H,8H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-bromophenoxy)acetyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carbohydrazide?
N'-[2-(4-bromophenoxy)acetyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carbohydrazide has a molecular weight of 432.20 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenoxy)acetyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 78852321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).