[(3-bromo-2,6-difluorophenyl)-pyrazin-2-ylmethyl]hydrazine

C11H9BrF2N4 — CID 106945260

IUPAC[(3-bromo-2,6-difluorophenyl)-pyrazin-2-ylmethyl]hydrazine
SMILESNNC(c1cnccn1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C11H9BrF2N4/c12-6-1-2-7(13)9(10(6)14)11(18-15)8-5-16-3-4-17-8/h1-5,11,18H,15H2
InChIKeyXULWRBMOMISTLP-UHFFFAOYSA-N
MW315.12 g/mol
LogP2.07
Rot. Bonds3

About [(3-bromo-2,6-difluorophenyl)-pyrazin-2-ylmethyl]hydrazine

[(3-bromo-2,6-difluorophenyl)-pyrazin-2-ylmethyl]hydrazine (PubChem CID 106945260) has the molecular formula C11H9BrF2N4 and a molecular weight of 315.12 g/mol. Its IUPAC name is [(3-bromo-2,6-difluorophenyl)-pyrazin-2-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-2,6-difluorophenyl)-pyrazin-2-ylmethyl]hydrazine
PubChem CID106945260
Molecular FormulaC11H9BrF2N4
Molecular Weight315.12 g/mol
Exact Mass314.00
IUPAC Name[(3-bromo-2,6-difluorophenyl)-pyrazin-2-ylmethyl]hydrazine
SMILESNNC(c1cnccn1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C11H9BrF2N4/c12-6-1-2-7(13)9(10(6)14)11(18-15)8-5-16-3-4-17-8/h1-5,11,18H,15H2
InChIKeyXULWRBMOMISTLP-UHFFFAOYSA-N
XLogP2.07
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105308675
[(3-bromo-5-fluorophenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105238763
[(3-bromo-2,6-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]hydrazine
CID 106945509
[(4-iodophenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105308758
[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105308636
[(3-bromo-2,6-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]hydrazine
CID 106945571
2-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]aniline
CID 106945317
[(3-bromo-2,6-difluorophenyl)-(2-bromo-4-fluorophenyl)methyl]hydrazine
CID 106945532
[(3-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105308722
1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 106942954
[(3-bromo-2,6-difluorophenyl)-(2-methylphenyl)methyl]hydrazine
CID 106945251
1-(3-bromo-2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 106942832

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-2,6-difluorophenyl)-pyrazin-2-ylmethyl]hydrazine?
The IUPAC name of [(3-bromo-2,6-difluorophenyl)-pyrazin-2-ylmethyl]hydrazine (CID 106945260) is [(3-bromo-2,6-difluorophenyl)-pyrazin-2-ylmethyl]hydrazine.
What is the SMILES notation for [(3-bromo-2,6-difluorophenyl)-pyrazin-2-ylmethyl]hydrazine?
The canonical SMILES for [(3-bromo-2,6-difluorophenyl)-pyrazin-2-ylmethyl]hydrazine is NNC(c1cnccn1)c1c(F)ccc(Br)c1F.
What is the InChIKey of [(3-bromo-2,6-difluorophenyl)-pyrazin-2-ylmethyl]hydrazine?
The InChIKey is XULWRBMOMISTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF2N4/c12-6-1-2-7(13)9(10(6)14)11(18-15)8-5-16-3-4-17-8/h1-5,11,18H,15H2.
What are the key properties of [(3-bromo-2,6-difluorophenyl)-pyrazin-2-ylmethyl]hydrazine?
[(3-bromo-2,6-difluorophenyl)-pyrazin-2-ylmethyl]hydrazine has a molecular weight of 315.12 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-2,6-difluorophenyl)-pyrazin-2-ylmethyl]hydrazine is sourced from PubChem (CID 106945260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).