5-amino-N-(2-bromo-6-fluorophenyl)pyrazine-2-carboxamide

C11H8BrFN4O — CID 107603346

IUPAC5-amino-N-(2-bromo-6-fluorophenyl)pyrazine-2-carboxamide
SMILESNc1cnc(C(=O)Nc2c(F)cccc2Br)cn1
InChIInChI=1S/C11H8BrFN4O/c12-6-2-1-3-7(13)10(6)17-11(18)8-4-16-9(14)5-15-8/h1-5H,(H2,14,16)(H,17,18)
InChIKeyNNMQEOBRVMFZML-UHFFFAOYSA-N
MW311.11 g/mol
LogP2.21
Rot. Bonds2

About 5-amino-N-(2-bromo-6-fluorophenyl)pyrazine-2-carboxamide

5-amino-N-(2-bromo-6-fluorophenyl)pyrazine-2-carboxamide (PubChem CID 107603346) has the molecular formula C11H8BrFN4O and a molecular weight of 311.11 g/mol. Its IUPAC name is 5-amino-N-(2-bromo-6-fluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-bromo-6-fluorophenyl)pyrazine-2-carboxamide
PubChem CID107603346
Molecular FormulaC11H8BrFN4O
Molecular Weight311.11 g/mol
Exact Mass309.99
IUPAC Name5-amino-N-(2-bromo-6-fluorophenyl)pyrazine-2-carboxamide
SMILESNc1cnc(C(=O)Nc2c(F)cccc2Br)cn1
InChIInChI=1S/C11H8BrFN4O/c12-6-2-1-3-7(13)10(6)17-11(18)8-4-16-9(14)5-15-8/h1-5H,(H2,14,16)(H,17,18)
InChIKeyNNMQEOBRVMFZML-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-chloro-6-fluorophenyl)pyrazine-2-carboxamide
CID 107377043
5-amino-N-(2-bromo-4,6-difluorophenyl)pyrazine-2-carboxamide
CID 107374421
5-amino-N-(2,4,6-tribromophenyl)pyrazine-2-carboxamide
CID 107374395
5-amino-N-(4-bromo-2,5-difluorophenyl)pyrazine-2-carboxamide
CID 107616540
6-[(2-bromo-6-fluorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107602500
N-(2-bromo-6-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 107603499
5-amino-N-(2-bromo-4-fluorophenyl)pyrazine-2-carboxamide
CID 107374346
N-(2,6-difluorophenyl)-5-methylpyrazine-2-carboxamide
CID 51158953
2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide
CID 107596162
3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide
CID 107596194
5-amino-N-(2-chloro-6-methylphenyl)pyrazine-2-carboxamide
CID 107376052
5-amino-N-(4-bromophenyl)pyrazine-2-carboxamide
CID 113381818

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromo-6-fluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-amino-N-(2-bromo-6-fluorophenyl)pyrazine-2-carboxamide (CID 107603346) is 5-amino-N-(2-bromo-6-fluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-bromo-6-fluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-bromo-6-fluorophenyl)pyrazine-2-carboxamide is Nc1cnc(C(=O)Nc2c(F)cccc2Br)cn1.
What is the InChIKey of 5-amino-N-(2-bromo-6-fluorophenyl)pyrazine-2-carboxamide?
The InChIKey is NNMQEOBRVMFZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN4O/c12-6-2-1-3-7(13)10(6)17-11(18)8-4-16-9(14)5-15-8/h1-5H,(H2,14,16)(H,17,18).
What are the key properties of 5-amino-N-(2-bromo-6-fluorophenyl)pyrazine-2-carboxamide?
5-amino-N-(2-bromo-6-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-6-fluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107603346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).