5-bromo-2-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide

C10H12BrF3N4O2 — CID 63832210

IUPAC5-bromo-2-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
SMILESNNc1ncc(Br)cc1C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C10H12BrF3N4O2/c11-6-3-7(8(18-15)17-4-6)9(19)16-1-2-20-5-10(12,13)14/h3-4H,1-2,5,15H2,(H,16,19)(H,17,18)
InChIKeyXPMRQLAPSPHKHJ-UHFFFAOYSA-N
MW357.13 g/mol
LogP1.44
Rot. Bonds6

About 5-bromo-2-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide

5-bromo-2-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide (PubChem CID 63832210) has the molecular formula C10H12BrF3N4O2 and a molecular weight of 357.13 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
PubChem CID63832210
Molecular FormulaC10H12BrF3N4O2
Molecular Weight357.13 g/mol
Exact Mass356.01
IUPAC Name5-bromo-2-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
SMILESNNc1ncc(Br)cc1C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C10H12BrF3N4O2/c11-6-3-7(8(18-15)17-4-6)9(19)16-1-2-20-5-10(12,13)14/h3-4H,1-2,5,15H2,(H,16,19)(H,17,18)
InChIKeyXPMRQLAPSPHKHJ-UHFFFAOYSA-N
XLogP1.44
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.13
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2-butoxyethyl)-2-hydrazinylpyridine-3-carboxamide
CID 62242770
5-bromo-2-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 113328075
5-bromo-2-hydrazinyl-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 62242203
5-bromo-N-(2-cyclohexyloxyethyl)-2-hydrazinylpyridine-3-carboxamide
CID 63833624
5-bromo-2-hydrazinyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62237644
3-amino-5-bromo-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 107872781
5-bromo-N-(2-ethoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62185046
5-bromo-N-(2-butoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 55047105
5-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2-carboxamide
CID 104642797
5-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydrazinylpyridine-3-carboxamide
CID 62979826
5-bromo-2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 62238180
5-bromo-2-hydrazinyl-N-(2-methoxypropyl)pyridine-3-carboxamide
CID 102700643

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide (CID 63832210) is 5-bromo-2-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide is NNc1ncc(Br)cc1C(=O)NCCOCC(F)(F)F.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide?
The InChIKey is XPMRQLAPSPHKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF3N4O2/c11-6-3-7(8(18-15)17-4-6)9(19)16-1-2-20-5-10(12,13)14/h3-4H,1-2,5,15H2,(H,16,19)(H,17,18).
What are the key properties of 5-bromo-2-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide?
5-bromo-2-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide has a molecular weight of 357.13 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 63832210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).