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

C16H11F6N3O2 — CID 2795935

IUPAC2-methyl-6-(trifluoromethyl)-N'-[4-(trifluoromethyl)benzoyl]pyridine-3-carbohydrazide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11F6N3O2/c1-8-11(6-7-12(23-8)16(20,21)22)14(27)25-24-13(26)9-2-4-10(5-3-9)15(17,18)19/h2-7H,1H3,(H,24,26)(H,25,27)
InChIKeyZALXAESFEBJFIR-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.50
Rot. Bonds2

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

2-methyl-6-(trifluoromethyl)-N'-[4-(trifluoromethyl)benzoyl]pyridine-3-carbohydrazide (PubChem CID 2795935) has the molecular formula C16H11F6N3O2 and a molecular weight of 391.27 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)-N'-[4-(trifluoromethyl)benzoyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)-N'-[4-(trifluoromethyl)benzoyl]pyridine-3-carbohydrazide
PubChem CID2795935
Molecular FormulaC16H11F6N3O2
Molecular Weight391.27 g/mol
Exact Mass391.08
IUPAC Name2-methyl-6-(trifluoromethyl)-N'-[4-(trifluoromethyl)benzoyl]pyridine-3-carbohydrazide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11F6N3O2/c1-8-11(6-7-12(23-8)16(20,21)22)14(27)25-24-13(26)9-2-4-10(5-3-9)15(17,18)19/h2-7H,1H3,(H,24,26)(H,25,27)
InChIKeyZALXAESFEBJFIR-UHFFFAOYSA-N
XLogP3.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-hydroxybenzoyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carbohydrazide
CID 31978231
N-(4-acetylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 71898029
1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 2782900
2-methyl-2-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 119187886
N-(4-acetamidophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31847359
N-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119382029
2-methyl-6-(trifluoromethyl)-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 31883802
N'-[2-(4-bromophenoxy)acetyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carbohydrazide
CID 78852321
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 119140189
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 97311248
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
2-methyl-N-(2-methylsulfanylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69438762

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)-N'-[4-(trifluoromethyl)benzoyl]pyridine-3-carbohydrazide?
The IUPAC name of 2-methyl-6-(trifluoromethyl)-N'-[4-(trifluoromethyl)benzoyl]pyridine-3-carbohydrazide (CID 2795935) is 2-methyl-6-(trifluoromethyl)-N'-[4-(trifluoromethyl)benzoyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)-N'-[4-(trifluoromethyl)benzoyl]pyridine-3-carbohydrazide?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)-N'-[4-(trifluoromethyl)benzoyl]pyridine-3-carbohydrazide is Cc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)-N'-[4-(trifluoromethyl)benzoyl]pyridine-3-carbohydrazide?
The InChIKey is ZALXAESFEBJFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6N3O2/c1-8-11(6-7-12(23-8)16(20,21)22)14(27)25-24-13(26)9-2-4-10(5-3-9)15(17,18)19/h2-7H,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-methyl-6-(trifluoromethyl)-N'-[4-(trifluoromethyl)benzoyl]pyridine-3-carbohydrazide?
2-methyl-6-(trifluoromethyl)-N'-[4-(trifluoromethyl)benzoyl]pyridine-3-carbohydrazide has a molecular weight of 391.27 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)-N'-[4-(trifluoromethyl)benzoyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 2795935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).