5-amino-N-(2-bromo-4-fluorophenyl)pyrazine-2-carboxamide

C11H8BrFN4O — CID 107374346

IUPAC5-amino-N-(2-bromo-4-fluorophenyl)pyrazine-2-carboxamide
SMILESNc1cnc(C(=O)Nc2ccc(F)cc2Br)cn1
InChIInChI=1S/C11H8BrFN4O/c12-7-3-6(13)1-2-8(7)17-11(18)9-4-16-10(14)5-15-9/h1-5H,(H2,14,16)(H,17,18)
InChIKeyPTWVGOMABTVUSO-UHFFFAOYSA-N
MW311.11 g/mol
LogP2.21
Rot. Bonds2

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

5-amino-N-(2-bromo-4-fluorophenyl)pyrazine-2-carboxamide (PubChem CID 107374346) has the molecular formula C11H8BrFN4O and a molecular weight of 311.11 g/mol. Its IUPAC name is 5-amino-N-(2-bromo-4-fluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-bromo-4-fluorophenyl)pyrazine-2-carboxamide
PubChem CID107374346
Molecular FormulaC11H8BrFN4O
Molecular Weight311.11 g/mol
Exact Mass309.99
IUPAC Name5-amino-N-(2-bromo-4-fluorophenyl)pyrazine-2-carboxamide
SMILESNc1cnc(C(=O)Nc2ccc(F)cc2Br)cn1
InChIInChI=1S/C11H8BrFN4O/c12-7-3-6(13)1-2-8(7)17-11(18)9-4-16-10(14)5-15-9/h1-5H,(H2,14,16)(H,17,18)
InChIKeyPTWVGOMABTVUSO-UHFFFAOYSA-N
XLogP2.21
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.11
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 107373934
5-amino-N-(4-bromo-2,5-difluorophenyl)pyrazine-2-carboxamide
CID 107616540
5-amino-N-(2-bromo-4,6-difluorophenyl)pyrazine-2-carboxamide
CID 107374421
N-(2-bromo-4-fluorophenyl)-5-carbamothioylpyridine-2-carboxamide
CID 63724601
N-(2-bromo-4-fluorophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104640072
5-amino-N-(2-bromo-5-fluorophenyl)pyridine-2-carboxamide
CID 107624285
5-amino-N-(4-bromo-2-cyanophenyl)pyrazine-2-carboxamide
CID 107376526
5-amino-N-(2-bromo-6-fluorophenyl)pyrazine-2-carboxamide
CID 107603346
5-amino-N-(2,4,6-tribromophenyl)pyrazine-2-carboxamide
CID 107374395
4-amino-N-(2-bromo-4-fluorophenyl)-3-methylbenzamide
CID 28938520
N-(2-bromo-4-fluorophenyl)-4-fluorobenzamide
CID 28938573
4-amino-N-(2-bromo-4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 43643192

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromo-4-fluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-amino-N-(2-bromo-4-fluorophenyl)pyrazine-2-carboxamide (CID 107374346) is 5-amino-N-(2-bromo-4-fluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-bromo-4-fluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-bromo-4-fluorophenyl)pyrazine-2-carboxamide is Nc1cnc(C(=O)Nc2ccc(F)cc2Br)cn1.
What is the InChIKey of 5-amino-N-(2-bromo-4-fluorophenyl)pyrazine-2-carboxamide?
The InChIKey is PTWVGOMABTVUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN4O/c12-7-3-6(13)1-2-8(7)17-11(18)9-4-16-10(14)5-15-9/h1-5H,(H2,14,16)(H,17,18).
What are the key properties of 5-amino-N-(2-bromo-4-fluorophenyl)pyrazine-2-carboxamide?
5-amino-N-(2-bromo-4-fluorophenyl)pyrazine-2-carboxamide has a molecular weight of 311.11 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-bromo-4-fluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107374346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).