5-amino-N-(3-fluoro-5-nitrophenyl)pyrazine-2-carboxamide

C11H8FN5O3 — CID 107377381

IUPAC5-amino-N-(3-fluoro-5-nitrophenyl)pyrazine-2-carboxamide
SMILESNc1cnc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cn1
InChIInChI=1S/C11H8FN5O3/c12-6-1-7(3-8(2-6)17(19)20)16-11(18)9-4-15-10(13)5-14-9/h1-5H,(H2,13,15)(H,16,18)
InChIKeyTWOGKSKBXIGVSY-UHFFFAOYSA-N
MW277.22 g/mol
LogP1.36
Rot. Bonds3

About 5-amino-N-(3-fluoro-5-nitrophenyl)pyrazine-2-carboxamide

5-amino-N-(3-fluoro-5-nitrophenyl)pyrazine-2-carboxamide (PubChem CID 107377381) has the molecular formula C11H8FN5O3 and a molecular weight of 277.22 g/mol. Its IUPAC name is 5-amino-N-(3-fluoro-5-nitrophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-fluoro-5-nitrophenyl)pyrazine-2-carboxamide
PubChem CID107377381
Molecular FormulaC11H8FN5O3
Molecular Weight277.22 g/mol
Exact Mass277.06
IUPAC Name5-amino-N-(3-fluoro-5-nitrophenyl)pyrazine-2-carboxamide
SMILESNc1cnc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cn1
InChIInChI=1S/C11H8FN5O3/c12-6-1-7(3-8(2-6)17(19)20)16-11(18)9-4-15-10(13)5-14-9/h1-5H,(H2,13,15)(H,16,18)
InChIKeyTWOGKSKBXIGVSY-UHFFFAOYSA-N
XLogP1.36
TPSA124.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 51.36
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

6-amino-N-(3-fluoro-5-nitrophenyl)pyridine-2-carboxamide
CID 107335605
5-amino-N-(2,4-difluoro-5-nitrophenyl)pyrazine-2-carboxamide
CID 107375841
N-(3-fluoro-5-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107335632
6-bromo-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 107334878
2-chloro-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 107334861
3-fluoro-N-(3-fluoro-5-nitrophenyl)pyridine-4-carboxamide
CID 107334867
N-(3-fluoro-5-nitrophenyl)-2-methylpropanamide
CID 107335340
2-amino-N-(3-fluoro-5-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 107335092
2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylbenzamide
CID 107335598
N-(3-fluoro-5-nitrophenyl)-3-hydrazinylpyridine-4-carboxamide
CID 107335631
4-(chloromethyl)-N-(3-fluoro-5-nitrophenyl)benzamide
CID 107334780
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-(3-fluoro-5-nitrophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-amino-N-(3-fluoro-5-nitrophenyl)pyrazine-2-carboxamide (CID 107377381) is 5-amino-N-(3-fluoro-5-nitrophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(3-fluoro-5-nitrophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-amino-N-(3-fluoro-5-nitrophenyl)pyrazine-2-carboxamide is Nc1cnc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cn1.
What is the InChIKey of 5-amino-N-(3-fluoro-5-nitrophenyl)pyrazine-2-carboxamide?
The InChIKey is TWOGKSKBXIGVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5O3/c12-6-1-7(3-8(2-6)17(19)20)16-11(18)9-4-15-10(13)5-14-9/h1-5H,(H2,13,15)(H,16,18).
What are the key properties of 5-amino-N-(3-fluoro-5-nitrophenyl)pyrazine-2-carboxamide?
5-amino-N-(3-fluoro-5-nitrophenyl)pyrazine-2-carboxamide has a molecular weight of 277.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-fluoro-5-nitrophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107377381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).