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

C11H7FN4O3 — CID 110461743

IUPACN-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(F)c1)c1cnccn1
InChIInChI=1S/C11H7FN4O3/c12-8-5-7(1-2-10(8)16(18)19)15-11(17)9-6-13-3-4-14-9/h1-6H,(H,15,17)
InChIKeyPRCLEUHINICBRC-UHFFFAOYSA-N
MW262.20 g/mol
LogP1.78
Rot. Bonds3

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

N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide (PubChem CID 110461743) has the molecular formula C11H7FN4O3 and a molecular weight of 262.20 g/mol. Its IUPAC name is N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide
PubChem CID110461743
Molecular FormulaC11H7FN4O3
Molecular Weight262.20 g/mol
Exact Mass262.05
IUPAC NameN-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(F)c1)c1cnccn1
InChIInChI=1S/C11H7FN4O3/c12-8-5-7(1-2-10(8)16(18)19)15-11(17)9-6-13-3-4-14-9/h1-6H,(H,15,17)
InChIKeyPRCLEUHINICBRC-UHFFFAOYSA-N
XLogP1.78
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 51.78
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

5-chloro-N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide
CID 107372132
N-(4-methoxy-3-nitrophenyl)pyrazine-2-carboxamide
CID 108796825
2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide
CID 114918756
N-(3,4-dibromophenyl)pyrazine-2-carboxamide
CID 1221988
2-bromo-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide
CID 103852327
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide
CID 65433519
N-(6-chloro-3-nitro-2-pyridinyl)pyrazine-2-carboxamide
CID 104820251
2-chloro-N-(3-fluoro-4-nitrophenyl)furan-3-carboxamide
CID 106687096
2-[(3-fluoro-4-nitrophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697344
N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 110699072
N-(3,4-dichlorophenyl)-3-fluoro-4-nitrobenzamide
CID 62680379
N-(4-bromo-3-methylphenyl)pyrazine-2-carboxamide
CID 3273013

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide (CID 110461743) is N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide is O=C(Nc1ccc([N+](=O)[O-])c(F)c1)c1cnccn1.
What is the InChIKey of N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide?
The InChIKey is PRCLEUHINICBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4O3/c12-8-5-7(1-2-10(8)16(18)19)15-11(17)9-6-13-3-4-14-9/h1-6H,(H,15,17).
What are the key properties of N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide?
N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide has a molecular weight of 262.20 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 110461743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).