5-amino-N-(2,4-difluoro-5-nitrophenyl)pyrazine-2-carboxamide

C11H7F2N5O3 — CID 107375841

IUPAC5-amino-N-(2,4-difluoro-5-nitrophenyl)pyrazine-2-carboxamide
SMILESNc1cnc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cn1
InChIInChI=1S/C11H7F2N5O3/c12-5-1-6(13)9(18(20)21)2-7(5)17-11(19)8-3-16-10(14)4-15-8/h1-4H,(H2,14,16)(H,17,19)
InChIKeyIZJLMLUJHNDUHF-UHFFFAOYSA-N
MW295.21 g/mol
LogP1.50
Rot. Bonds3

About 5-amino-N-(2,4-difluoro-5-nitrophenyl)pyrazine-2-carboxamide

5-amino-N-(2,4-difluoro-5-nitrophenyl)pyrazine-2-carboxamide (PubChem CID 107375841) has the molecular formula C11H7F2N5O3 and a molecular weight of 295.21 g/mol. Its IUPAC name is 5-amino-N-(2,4-difluoro-5-nitrophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,4-difluoro-5-nitrophenyl)pyrazine-2-carboxamide
PubChem CID107375841
Molecular FormulaC11H7F2N5O3
Molecular Weight295.21 g/mol
Exact Mass295.05
IUPAC Name5-amino-N-(2,4-difluoro-5-nitrophenyl)pyrazine-2-carboxamide
SMILESNc1cnc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cn1
InChIInChI=1S/C11H7F2N5O3/c12-5-1-6(13)9(18(20)21)2-7(5)17-11(19)8-3-16-10(14)4-15-8/h1-4H,(H2,14,16)(H,17,19)
InChIKeyIZJLMLUJHNDUHF-UHFFFAOYSA-N
XLogP1.50
TPSA124.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(4-bromo-2,5-difluorophenyl)pyrazine-2-carboxamide
CID 107616540
5-amino-N-(3-fluoro-5-nitrophenyl)pyrazine-2-carboxamide
CID 107377381
4-chloro-N-(2,4-difluoro-5-nitrophenyl)butanamide
CID 55203675
N-(2-fluoro-5-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107378095
5-amino-N-(2-bromo-4-fluorophenyl)pyrazine-2-carboxamide
CID 107374346
(2S)-2-amino-N-(2,4-difluoro-5-nitrophenyl)-3,3-dimethylbutanamide
CID 61178965
5-chloro-N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide
CID 107372132
6-amino-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 62155644
5-amino-N-(2-chloro-6-fluorophenyl)pyrazine-2-carboxamide
CID 107377043
N-(2-fluoro-4-nitrophenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107375271
2-amino-N-(2,4-difluoro-5-nitrophenyl)pentanamide
CID 43709921
5-amino-N-(2-bromo-4,6-difluorophenyl)pyrazine-2-carboxamide
CID 107374421

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,4-difluoro-5-nitrophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-amino-N-(2,4-difluoro-5-nitrophenyl)pyrazine-2-carboxamide (CID 107375841) is 5-amino-N-(2,4-difluoro-5-nitrophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2,4-difluoro-5-nitrophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-amino-N-(2,4-difluoro-5-nitrophenyl)pyrazine-2-carboxamide is Nc1cnc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cn1.
What is the InChIKey of 5-amino-N-(2,4-difluoro-5-nitrophenyl)pyrazine-2-carboxamide?
The InChIKey is IZJLMLUJHNDUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N5O3/c12-5-1-6(13)9(18(20)21)2-7(5)17-11(19)8-3-16-10(14)4-15-8/h1-4H,(H2,14,16)(H,17,19).
What are the key properties of 5-amino-N-(2,4-difluoro-5-nitrophenyl)pyrazine-2-carboxamide?
5-amino-N-(2,4-difluoro-5-nitrophenyl)pyrazine-2-carboxamide has a molecular weight of 295.21 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,4-difluoro-5-nitrophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107375841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).