N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide

C11H8BrF2N5O — CID 107616833

IUPACN-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
SMILESNNc1ccc(C(=O)Nc2cc(F)c(Br)cc2F)nn1
InChIInChI=1S/C11H8BrF2N5O/c12-5-3-7(14)9(4-6(5)13)16-11(20)8-1-2-10(17-15)19-18-8/h1-4H,15H2,(H,16,20)(H,17,19)
InChIKeySUQAJEQQOVAHFA-UHFFFAOYSA-N
MW344.12 g/mol
LogP2.06
Rot. Bonds3

About N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide

N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide (PubChem CID 107616833) has the molecular formula C11H8BrF2N5O and a molecular weight of 344.12 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
PubChem CID107616833
Molecular FormulaC11H8BrF2N5O
Molecular Weight344.12 g/mol
Exact Mass342.99
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
SMILESNNc1ccc(C(=O)Nc2cc(F)c(Br)cc2F)nn1
InChIInChI=1S/C11H8BrF2N5O/c12-5-3-7(14)9(4-6(5)13)16-11(20)8-1-2-10(17-15)19-18-8/h1-4H,15H2,(H,16,20)(H,17,19)
InChIKeySUQAJEQQOVAHFA-UHFFFAOYSA-N
XLogP2.06
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.12
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62247776
N-(4-bromo-2,5-difluorophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 107616840
N-(4-bromo-3-iodophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 114261584
N-(2,6-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62242004
N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 107578968
N-(4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62249751
N-(4-bromophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62247763
N-(2-cyano-3-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62235962
6-hydrazinyl-N-(2-iodophenyl)pyridazine-3-carboxamide
CID 62243106
N-(2-chloro-4-iodophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 107606112
5-amino-N-(4-bromo-2,5-difluorophenyl)pyrazine-2-carboxamide
CID 107616540
5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-chlorobenzamide
CID 103842628

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide (CID 107616833) is N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide is NNc1ccc(C(=O)Nc2cc(F)c(Br)cc2F)nn1.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide?
The InChIKey is SUQAJEQQOVAHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2N5O/c12-5-3-7(14)9(4-6(5)13)16-11(20)8-1-2-10(17-15)19-18-8/h1-4H,15H2,(H,16,20)(H,17,19).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide?
N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide has a molecular weight of 344.12 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide is sourced from PubChem (CID 107616833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).