N-(3-chloro-4-fluorophenyl)-6-hydrazinylpyrazine-2-carboxamide

C11H9ClFN5O — CID 114036263

IUPACN-(3-chloro-4-fluorophenyl)-6-hydrazinylpyrazine-2-carboxamide
SMILESNNc1cncc(C(=O)Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C11H9ClFN5O/c12-7-3-6(1-2-8(7)13)16-11(19)9-4-15-5-10(17-9)18-14/h1-5H,14H2,(H,16,19)(H,17,18)
InChIKeyDWDTUELBTIWUBJ-UHFFFAOYSA-N
MW281.68 g/mol
LogP1.81
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-6-hydrazinylpyrazine-2-carboxamide

N-(3-chloro-4-fluorophenyl)-6-hydrazinylpyrazine-2-carboxamide (PubChem CID 114036263) has the molecular formula C11H9ClFN5O and a molecular weight of 281.68 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-hydrazinylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-hydrazinylpyrazine-2-carboxamide
PubChem CID114036263
Molecular FormulaC11H9ClFN5O
Molecular Weight281.68 g/mol
Exact Mass281.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-hydrazinylpyrazine-2-carboxamide
SMILESNNc1cncc(C(=O)Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C11H9ClFN5O/c12-7-3-6(1-2-8(7)13)16-11(19)9-4-15-5-10(17-9)18-14/h1-5H,14H2,(H,16,19)(H,17,18)
InChIKeyDWDTUELBTIWUBJ-UHFFFAOYSA-N
XLogP1.81
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.68
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-hydrazinyl-N-(3,4,5-trifluorophenyl)pyrazine-2-carboxamide
CID 114036287
2-chloro-N-(3-chloro-4-fluorophenyl)-6-hydrazinylpyridine-4-carboxamide
CID 62242916
N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532923
2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62788368
N-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide
CID 47338086
3-chloro-N-(3,4-difluorophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62247567
3-N-(3-chloro-4-fluorophenyl)-5-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109108356
4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide
CID 63187581
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110859368
6-(3-chloro-4-fluoroanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358265
5-anilino-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 109197085

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-hydrazinylpyrazine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-hydrazinylpyrazine-2-carboxamide (CID 114036263) is N-(3-chloro-4-fluorophenyl)-6-hydrazinylpyrazine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-hydrazinylpyrazine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-hydrazinylpyrazine-2-carboxamide is NNc1cncc(C(=O)Nc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-hydrazinylpyrazine-2-carboxamide?
The InChIKey is DWDTUELBTIWUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN5O/c12-7-3-6(1-2-8(7)13)16-11(19)9-4-15-5-10(17-9)18-14/h1-5H,14H2,(H,16,19)(H,17,18).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-hydrazinylpyrazine-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-6-hydrazinylpyrazine-2-carboxamide has a molecular weight of 281.68 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-hydrazinylpyrazine-2-carboxamide is sourced from PubChem (CID 114036263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).