N-(2-fluoro-5-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide

C11H9FN6O3 — CID 107378095

IUPACN-(2-fluoro-5-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide
SMILESNNc1cnc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cn1
InChIInChI=1S/C11H9FN6O3/c12-7-2-1-6(18(20)21)3-8(7)16-11(19)9-4-15-10(17-13)5-14-9/h1-5H,13H2,(H,15,17)(H,16,19)
InChIKeySGHZIJQJXWRCPR-UHFFFAOYSA-N
MW292.23 g/mol
LogP1.06
Rot. Bonds4

About N-(2-fluoro-5-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide

N-(2-fluoro-5-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide (PubChem CID 107378095) has the molecular formula C11H9FN6O3 and a molecular weight of 292.23 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide
PubChem CID107378095
Molecular FormulaC11H9FN6O3
Molecular Weight292.23 g/mol
Exact Mass292.07
IUPAC NameN-(2-fluoro-5-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide
SMILESNNc1cnc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cn1
InChIInChI=1S/C11H9FN6O3/c12-7-2-1-6(18(20)21)3-8(7)16-11(19)9-4-15-10(17-13)5-14-9/h1-5H,13H2,(H,15,17)(H,16,19)
InChIKeySGHZIJQJXWRCPR-UHFFFAOYSA-N
XLogP1.06
TPSA136.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-4-nitrophenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107375271
4-amino-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide
CID 62155643
N-(2-fluoro-5-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62044834
6-amino-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 62155644
6-fluoro-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide
CID 115496793
4-amino-N-(2-fluoro-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 81238388
3-[(2-fluoro-5-nitrophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369206
N-(5-chloro-2-pyridinyl)-2-hydrazinyl-5-nitrobenzamide
CID 62242361
5-hydrazinyl-N-(3,4,5-trifluorophenyl)pyrazine-2-carboxamide
CID 107378182
N-(4-chloro-3-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107812143
2-chloro-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 17102140
2-amino-N-(2-fluoro-5-nitrophenyl)-5-methylbenzamide
CID 62510366

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide (CID 107378095) is N-(2-fluoro-5-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide is NNc1cnc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cn1.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide?
The InChIKey is SGHZIJQJXWRCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN6O3/c12-7-2-1-6(18(20)21)3-8(7)16-11(19)9-4-15-10(17-13)5-14-9/h1-5H,13H2,(H,15,17)(H,16,19).
What are the key properties of N-(2-fluoro-5-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide?
N-(2-fluoro-5-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide has a molecular weight of 292.23 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide is sourced from PubChem (CID 107378095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).