5-amino-N-(4-bromo-2,5-difluorophenyl)pyrazine-2-carboxamide

C11H7BrF2N4O — CID 107616540

IUPAC5-amino-N-(4-bromo-2,5-difluorophenyl)pyrazine-2-carboxamide
SMILESNc1cnc(C(=O)Nc2cc(F)c(Br)cc2F)cn1
InChIInChI=1S/C11H7BrF2N4O/c12-5-1-7(14)8(2-6(5)13)18-11(19)9-3-17-10(15)4-16-9/h1-4H,(H2,15,17)(H,18,19)
InChIKeySJEUDZIZTSWYDK-UHFFFAOYSA-N
MW329.10 g/mol
LogP2.35
Rot. Bonds2

About 5-amino-N-(4-bromo-2,5-difluorophenyl)pyrazine-2-carboxamide

5-amino-N-(4-bromo-2,5-difluorophenyl)pyrazine-2-carboxamide (PubChem CID 107616540) has the molecular formula C11H7BrF2N4O and a molecular weight of 329.10 g/mol. Its IUPAC name is 5-amino-N-(4-bromo-2,5-difluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-bromo-2,5-difluorophenyl)pyrazine-2-carboxamide
PubChem CID107616540
Molecular FormulaC11H7BrF2N4O
Molecular Weight329.10 g/mol
Exact Mass327.98
IUPAC Name5-amino-N-(4-bromo-2,5-difluorophenyl)pyrazine-2-carboxamide
SMILESNc1cnc(C(=O)Nc2cc(F)c(Br)cc2F)cn1
InChIInChI=1S/C11H7BrF2N4O/c12-5-1-7(14)8(2-6(5)13)18-11(19)9-3-17-10(15)4-16-9/h1-4H,(H2,15,17)(H,18,19)
InChIKeySJEUDZIZTSWYDK-UHFFFAOYSA-N
XLogP2.35
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.10
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(2-bromo-4-fluorophenyl)pyrazine-2-carboxamide
CID 107374346
5-amino-N-(2-bromo-4,6-difluorophenyl)pyrazine-2-carboxamide
CID 107374421
5-amino-N-(2,4-difluoro-5-nitrophenyl)pyrazine-2-carboxamide
CID 107375841
5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 107373934
5-amino-N-(2-bromo-6-fluorophenyl)pyrazine-2-carboxamide
CID 107603346
5-amino-N-(2,4,6-tribromophenyl)pyrazine-2-carboxamide
CID 107374395
N-(4-bromo-2,5-difluorophenyl)thiadiazole-5-carboxamide
CID 103842612
4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107608717
4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
CID 107616547
N-(4-bromo-2,5-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 113330182
N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 107616833
5-amino-N-(4-bromo-2-cyanophenyl)pyrazine-2-carboxamide
CID 107376526

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromo-2,5-difluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-amino-N-(4-bromo-2,5-difluorophenyl)pyrazine-2-carboxamide (CID 107616540) is 5-amino-N-(4-bromo-2,5-difluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(4-bromo-2,5-difluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-amino-N-(4-bromo-2,5-difluorophenyl)pyrazine-2-carboxamide is Nc1cnc(C(=O)Nc2cc(F)c(Br)cc2F)cn1.
What is the InChIKey of 5-amino-N-(4-bromo-2,5-difluorophenyl)pyrazine-2-carboxamide?
The InChIKey is SJEUDZIZTSWYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF2N4O/c12-5-1-7(14)8(2-6(5)13)18-11(19)9-3-17-10(15)4-16-9/h1-4H,(H2,15,17)(H,18,19).
What are the key properties of 5-amino-N-(4-bromo-2,5-difluorophenyl)pyrazine-2-carboxamide?
5-amino-N-(4-bromo-2,5-difluorophenyl)pyrazine-2-carboxamide has a molecular weight of 329.10 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-bromo-2,5-difluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107616540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).