N'-(4-bromo-2-pyridinyl)-2,2,2-trifluoroacetohydrazide

C7H5BrF3N3O — CID 171338494

IUPACN'-(4-bromo-2-pyridinyl)-2,2,2-trifluoroacetohydrazide
SMILESO=C(NNc1cc(Br)ccn1)C(F)(F)F
InChIInChI=1S/C7H5BrF3N3O/c8-4-1-2-12-5(3-4)13-14-6(15)7(9,10)11/h1-3H,(H,12,13)(H,14,15)
InChIKeyYKAZIUWSEVLEKG-UHFFFAOYSA-N
MW284.04 g/mol
LogP1.85
Rot. Bonds2

About N'-(4-bromo-2-pyridinyl)-2,2,2-trifluoroacetohydrazide

N'-(4-bromo-2-pyridinyl)-2,2,2-trifluoroacetohydrazide (PubChem CID 171338494) has the molecular formula C7H5BrF3N3O and a molecular weight of 284.04 g/mol. Its IUPAC name is N'-(4-bromo-2-pyridinyl)-2,2,2-trifluoroacetohydrazide.

Molecular Properties

Compound NameN'-(4-bromo-2-pyridinyl)-2,2,2-trifluoroacetohydrazide
PubChem CID171338494
Molecular FormulaC7H5BrF3N3O
Molecular Weight284.04 g/mol
Exact Mass282.96
IUPAC NameN'-(4-bromo-2-pyridinyl)-2,2,2-trifluoroacetohydrazide
SMILESO=C(NNc1cc(Br)ccn1)C(F)(F)F
InChIInChI=1S/C7H5BrF3N3O/c8-4-1-2-12-5(3-4)13-14-6(15)7(9,10)11/h1-3H,(H,12,13)(H,14,15)
InChIKeyYKAZIUWSEVLEKG-UHFFFAOYSA-N
XLogP1.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.04
LogP ≤ 51.85
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

1-[(4-bromo-2-pyridinyl)amino]-3-phenylurea
CID 170994303
N-(4-bromo-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 102674347
N-(4-bromo-2-pyridinyl)-2-methyl-2-phenylpropanamide
CID 102820562
1-(4-bromo-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 102820650
2,2,2-trifluoro-N'-(5-iodo-2-pyridinyl)acetohydrazide
CID 21071710
2,2,2-trifluoro-N-(4-methyl-2-pyridinyl)acetamide
CID 3568056
tert-butyl 3-[[(4-bromo-2-pyridinyl)amino]carbamoyl]-3-methylazetidine-1-carboxylate
CID 163216476
N-(4-bromo-2-pyridinyl)-2-(2,5-difluorophenyl)acetamide
CID 115274263
N-(4-bromo-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 102674046
3-[(4-bromo-2-pyridinyl)amino]butanamide
CID 130671461
N-(4-bromo-2-pyridinyl)cyclopentanecarboxamide
CID 102674366
1-(4-bromo-2-pyridinyl)-2-cycloheptylhydrazine
CID 178076459

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-2-pyridinyl)-2,2,2-trifluoroacetohydrazide?
The IUPAC name of N'-(4-bromo-2-pyridinyl)-2,2,2-trifluoroacetohydrazide (CID 171338494) is N'-(4-bromo-2-pyridinyl)-2,2,2-trifluoroacetohydrazide.
What is the SMILES notation for N'-(4-bromo-2-pyridinyl)-2,2,2-trifluoroacetohydrazide?
The canonical SMILES for N'-(4-bromo-2-pyridinyl)-2,2,2-trifluoroacetohydrazide is O=C(NNc1cc(Br)ccn1)C(F)(F)F.
What is the InChIKey of N'-(4-bromo-2-pyridinyl)-2,2,2-trifluoroacetohydrazide?
The InChIKey is YKAZIUWSEVLEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3N3O/c8-4-1-2-12-5(3-4)13-14-6(15)7(9,10)11/h1-3H,(H,12,13)(H,14,15).
What are the key properties of N'-(4-bromo-2-pyridinyl)-2,2,2-trifluoroacetohydrazide?
N'-(4-bromo-2-pyridinyl)-2,2,2-trifluoroacetohydrazide has a molecular weight of 284.04 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-2-pyridinyl)-2,2,2-trifluoroacetohydrazide is sourced from PubChem (CID 171338494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).