N-(2-bromo-6-chloro-4-fluorophenyl)-5-hydrazinylpyrazine-2-carboxamide

C11H8BrClFN5O — CID 107616865

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-5-hydrazinylpyrazine-2-carboxamide
SMILESNNc1cnc(C(=O)Nc2c(Cl)cc(F)cc2Br)cn1
InChIInChI=1S/C11H8BrClFN5O/c12-6-1-5(14)2-7(13)10(6)18-11(20)8-3-17-9(19-15)4-16-8/h1-4H,15H2,(H,17,19)(H,18,20)
InChIKeyDKUAOVVFSQVRHR-UHFFFAOYSA-N
MW360.57 g/mol
LogP2.57
Rot. Bonds3

About N-(2-bromo-6-chloro-4-fluorophenyl)-5-hydrazinylpyrazine-2-carboxamide

N-(2-bromo-6-chloro-4-fluorophenyl)-5-hydrazinylpyrazine-2-carboxamide (PubChem CID 107616865) has the molecular formula C11H8BrClFN5O and a molecular weight of 360.57 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-5-hydrazinylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-5-hydrazinylpyrazine-2-carboxamide
PubChem CID107616865
Molecular FormulaC11H8BrClFN5O
Molecular Weight360.57 g/mol
Exact Mass358.96
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-5-hydrazinylpyrazine-2-carboxamide
SMILESNNc1cnc(C(=O)Nc2c(Cl)cc(F)cc2Br)cn1
InChIInChI=1S/C11H8BrClFN5O/c12-6-1-5(14)2-7(13)10(6)18-11(20)8-3-17-9(19-15)4-16-8/h1-4H,15H2,(H,17,19)(H,18,20)
InChIKeyDKUAOVVFSQVRHR-UHFFFAOYSA-N
XLogP2.57
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dibromo-4-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107377960
5-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 107470670
5-amino-N-(2-bromo-4,6-difluorophenyl)pyrazine-2-carboxamide
CID 107374421
N-(2,6-dichloro-4-fluorophenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104643020
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzamide
CID 107616854
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 103867801
N-(4-bromophenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107377733
5-hydrazinyl-N-(3,4,5-trifluorophenyl)pyrazine-2-carboxamide
CID 107378182
5-amino-N-(2,6-dichloro-4-fluorophenyl)pyridine-2-carboxamide
CID 83076458
5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide
CID 107608774
N-(2-bromo-6-chloro-4-fluorophenyl)-3,6-dichloropyridine-2-carboxamide
CID 103867824
N-(4-bromo-2,6-dichlorophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 62244012

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-5-hydrazinylpyrazine-2-carboxamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-5-hydrazinylpyrazine-2-carboxamide (CID 107616865) is N-(2-bromo-6-chloro-4-fluorophenyl)-5-hydrazinylpyrazine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-5-hydrazinylpyrazine-2-carboxamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-5-hydrazinylpyrazine-2-carboxamide is NNc1cnc(C(=O)Nc2c(Cl)cc(F)cc2Br)cn1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-5-hydrazinylpyrazine-2-carboxamide?
The InChIKey is DKUAOVVFSQVRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFN5O/c12-6-1-5(14)2-7(13)10(6)18-11(20)8-3-17-9(19-15)4-16-8/h1-4H,15H2,(H,17,19)(H,18,20).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-5-hydrazinylpyrazine-2-carboxamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-5-hydrazinylpyrazine-2-carboxamide has a molecular weight of 360.57 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-5-hydrazinylpyrazine-2-carboxamide is sourced from PubChem (CID 107616865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).