N-(4-chloro-3-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide

C11H9ClN6O3 — CID 107812143

IUPACN-(4-chloro-3-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide
SMILESNNc1cnc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cn1
InChIInChI=1S/C11H9ClN6O3/c12-7-2-1-6(3-9(7)18(20)21)16-11(19)8-4-15-10(17-13)5-14-8/h1-5H,13H2,(H,15,17)(H,16,19)
InChIKeyMLHFLZYOOCLAEW-UHFFFAOYSA-N
MW308.69 g/mol
LogP1.58
Rot. Bonds4

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

N-(4-chloro-3-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide (PubChem CID 107812143) has the molecular formula C11H9ClN6O3 and a molecular weight of 308.69 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide
PubChem CID107812143
Molecular FormulaC11H9ClN6O3
Molecular Weight308.69 g/mol
Exact Mass308.04
IUPAC NameN-(4-chloro-3-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide
SMILESNNc1cnc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cn1
InChIInChI=1S/C11H9ClN6O3/c12-7-2-1-6(3-9(7)18(20)21)16-11(19)8-4-15-10(17-13)5-14-8/h1-5H,13H2,(H,15,17)(H,16,19)
InChIKeyMLHFLZYOOCLAEW-UHFFFAOYSA-N
XLogP1.58
TPSA136.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.69
LogP ≤ 51.58
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-(4-chloro-3-nitrophenyl)-4-hydrazinylpyridine-3-carboxamide
CID 107812142
6-chloro-N-(4-chloro-3-nitrophenyl)pyridazine-3-carboxamide
CID 61040906
N-(4-bromophenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107377733
2-amino-N-(4-chloro-3-nitrophenyl)pyridine-4-carboxamide
CID 107812124
N-(2-fluoro-5-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107378095
5-chloro-N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide
CID 107372132
N-(4-bromo-3-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 79760195
2-chloro-N-(4-chloro-3-nitrophenyl)-3,5-dinitrobenzamide
CID 4626962
2-N,5-N-bis(3-chloro-4-nitrophenyl)pyridine-2,5-dicarboxamide
CID 4294395
N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 1340842
5-hydrazinyl-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 107377590
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide (CID 107812143) is N-(4-chloro-3-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide is NNc1cnc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cn1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide?
The InChIKey is MLHFLZYOOCLAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6O3/c12-7-2-1-6(3-9(7)18(20)21)16-11(19)8-4-15-10(17-13)5-14-8/h1-5H,13H2,(H,15,17)(H,16,19).
What are the key properties of N-(4-chloro-3-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide?
N-(4-chloro-3-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide has a molecular weight of 308.69 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide is sourced from PubChem (CID 107812143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).