N-(5-bromo-2,4-difluorophenyl)-6-hydrazinylpyrazin-2-amine

C10H8BrF2N5 — CID 102855667

IUPACN-(5-bromo-2,4-difluorophenyl)-6-hydrazinylpyrazin-2-amine
SMILESNNc1cncc(Nc2cc(Br)c(F)cc2F)n1
InChIInChI=1S/C10H8BrF2N5/c11-5-1-8(7(13)2-6(5)12)16-9-3-15-4-10(17-9)18-14/h1-4H,14H2,(H2,16,17,18)
InChIKeyVKXRCYJYFIMKLI-UHFFFAOYSA-N
MW316.11 g/mol
LogP2.55
Rot. Bonds3

About N-(5-bromo-2,4-difluorophenyl)-6-hydrazinylpyrazin-2-amine

N-(5-bromo-2,4-difluorophenyl)-6-hydrazinylpyrazin-2-amine (PubChem CID 102855667) has the molecular formula C10H8BrF2N5 and a molecular weight of 316.11 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)-6-hydrazinylpyrazin-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)-6-hydrazinylpyrazin-2-amine
PubChem CID102855667
Molecular FormulaC10H8BrF2N5
Molecular Weight316.11 g/mol
Exact Mass314.99
IUPAC NameN-(5-bromo-2,4-difluorophenyl)-6-hydrazinylpyrazin-2-amine
SMILESNNc1cncc(Nc2cc(Br)c(F)cc2F)n1
InChIInChI=1S/C10H8BrF2N5/c11-5-1-8(7(13)2-6(5)12)16-9-3-15-4-10(17-9)18-14/h1-4H,14H2,(H2,16,17,18)
InChIKeyVKXRCYJYFIMKLI-UHFFFAOYSA-N
XLogP2.55
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.11
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-(5-bromo-2,4-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 102855613
N-(2,5-difluoro-4-methylphenyl)-6-hydrazinylpyrazin-2-amine
CID 103587925
N-(5-bromo-2,4-difluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 102855651
N-(2-bromo-5-methylphenyl)-6-hydrazinylpyrazin-2-amine
CID 82758106
6-chloro-N-(2,4,5-trifluorophenyl)pyrazin-2-amine
CID 62810763
N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 107608457
2-fluoro-6-[(6-hydrazinylpyrazin-2-yl)amino]benzonitrile
CID 80906139
N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 107594496
N-(5-bromo-2-methylphenyl)-6-hydrazinylpyrazin-2-amine
CID 80898750
N-(4-fluoro-2-methylphenyl)-6-hydrazinylpyrazin-2-amine
CID 80927661
N-(3-fluoro-5-methylphenyl)-6-hydrazinylpyrazin-2-amine
CID 80923268
3-bromo-N-(5-bromo-2,4-difluorophenyl)pyridin-4-amine
CID 102854834

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)-6-hydrazinylpyrazin-2-amine?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)-6-hydrazinylpyrazin-2-amine (CID 102855667) is N-(5-bromo-2,4-difluorophenyl)-6-hydrazinylpyrazin-2-amine.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)-6-hydrazinylpyrazin-2-amine?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)-6-hydrazinylpyrazin-2-amine is NNc1cncc(Nc2cc(Br)c(F)cc2F)n1.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)-6-hydrazinylpyrazin-2-amine?
The InChIKey is VKXRCYJYFIMKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2N5/c11-5-1-8(7(13)2-6(5)12)16-9-3-15-4-10(17-9)18-14/h1-4H,14H2,(H2,16,17,18).
What are the key properties of N-(5-bromo-2,4-difluorophenyl)-6-hydrazinylpyrazin-2-amine?
N-(5-bromo-2,4-difluorophenyl)-6-hydrazinylpyrazin-2-amine has a molecular weight of 316.11 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,4-difluorophenyl)-6-hydrazinylpyrazin-2-amine is sourced from PubChem (CID 102855667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).