5-bromo-2-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide

C10H12BrF3N4O — CID 113328075

IUPAC5-bromo-2-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
SMILESNNc1ncc(Br)cc1C(=O)NCCCC(F)(F)F
InChIInChI=1S/C10H12BrF3N4O/c11-6-4-7(8(18-15)17-5-6)9(19)16-3-1-2-10(12,13)14/h4-5H,1-3,15H2,(H,16,19)(H,17,18)
InChIKeyCGRLNLOVCJOJOF-UHFFFAOYSA-N
MW341.13 g/mol
LogP2.20
Rot. Bonds5

About 5-bromo-2-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide

5-bromo-2-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide (PubChem CID 113328075) has the molecular formula C10H12BrF3N4O and a molecular weight of 341.13 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
PubChem CID113328075
Molecular FormulaC10H12BrF3N4O
Molecular Weight341.13 g/mol
Exact Mass340.01
IUPAC Name5-bromo-2-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
SMILESNNc1ncc(Br)cc1C(=O)NCCCC(F)(F)F
InChIInChI=1S/C10H12BrF3N4O/c11-6-4-7(8(18-15)17-5-6)9(19)16-3-1-2-10(12,13)14/h4-5H,1-3,15H2,(H,16,19)(H,17,18)
InChIKeyCGRLNLOVCJOJOF-UHFFFAOYSA-N
XLogP2.20
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.13
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-2-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
CID 63832210
5-bromo-2-hydrazinyl-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 62242203
5-bromo-2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 62238180
5-bromo-2-hydrazinyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62237644
5-bromo-N-(2-butoxyethyl)-2-hydrazinylpyridine-3-carboxamide
CID 62242770
5-bromo-N-tert-butyl-2-hydrazinylpyridine-3-carboxamide
CID 62238273
5-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydrazinylpyridine-3-carboxamide
CID 62979826
5-bromo-2-(methylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide
CID 55047276
5-bromo-N-(2-cyclohexyloxyethyl)-2-hydrazinylpyridine-3-carboxamide
CID 63833624
5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide
CID 62242574
4-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 115522203
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-(4,4,4-trifluorobutyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide (CID 113328075) is 5-bromo-2-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide is NNc1ncc(Br)cc1C(=O)NCCCC(F)(F)F.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide?
The InChIKey is CGRLNLOVCJOJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF3N4O/c11-6-4-7(8(18-15)17-5-6)9(19)16-3-1-2-10(12,13)14/h4-5H,1-3,15H2,(H,16,19)(H,17,18).
What are the key properties of 5-bromo-2-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide?
5-bromo-2-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide has a molecular weight of 341.13 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide is sourced from PubChem (CID 113328075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).