5-chloro-N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide

C11H6ClFN4O3 — CID 107372132

IUPAC5-chloro-N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(F)c1)c1cnc(Cl)cn1
InChIInChI=1S/C11H6ClFN4O3/c12-10-5-14-8(4-15-10)11(18)16-6-1-2-9(17(19)20)7(13)3-6/h1-5H,(H,16,18)
InChIKeyYMJQWKFNXCHPEA-UHFFFAOYSA-N
MW296.65 g/mol
LogP2.43
Rot. Bonds3

About 5-chloro-N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide

5-chloro-N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide (PubChem CID 107372132) has the molecular formula C11H6ClFN4O3 and a molecular weight of 296.65 g/mol. Its IUPAC name is 5-chloro-N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide
PubChem CID107372132
Molecular FormulaC11H6ClFN4O3
Molecular Weight296.65 g/mol
Exact Mass296.01
IUPAC Name5-chloro-N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(F)c1)c1cnc(Cl)cn1
InChIInChI=1S/C11H6ClFN4O3/c12-10-5-14-8(4-15-10)11(18)16-6-1-2-9(17(19)20)7(13)3-6/h1-5H,(H,16,18)
InChIKeyYMJQWKFNXCHPEA-UHFFFAOYSA-N
XLogP2.43
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.65
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide
CID 114918756
N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide
CID 110461743
3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide
CID 103852321
2-chloro-N-(3-fluoro-4-nitrophenyl)furan-3-carboxamide
CID 106687096
N-(3-bromo-4-fluorophenyl)-2-chloro-5-nitropyridine-4-carboxamide
CID 103734087
N-(3,4-dichlorophenyl)-3-fluoro-4-nitrobenzamide
CID 62680379
N-(3-fluoro-4-nitrophenyl)carbamothioyl chloride
CID 135378563
2-chloro-N-(3-chloro-4-fluorophenyl)-5-nitropyridine-4-carboxamide
CID 103730763
2-bromo-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide
CID 103852327
5-chloro-N-(4,5-dimethyl-2-nitrophenyl)pyrazine-2-carboxamide
CID 107372032
2-N,5-N-bis(3-chloro-4-nitrophenyl)pyridine-2,5-dicarboxamide
CID 4294395
5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide
CID 3462912

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide (CID 107372132) is 5-chloro-N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide is O=C(Nc1ccc([N+](=O)[O-])c(F)c1)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide?
The InChIKey is YMJQWKFNXCHPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN4O3/c12-10-5-14-8(4-15-10)11(18)16-6-1-2-9(17(19)20)7(13)3-6/h1-5H,(H,16,18).
What are the key properties of 5-chloro-N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide?
5-chloro-N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide has a molecular weight of 296.65 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107372132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).