[5-[(3-bromo-5-nitrophenoxy)methyl]pyrazin-2-yl]hydrazine

C11H10BrN5O3 — CID 103589476

IUPAC[5-[(3-bromo-5-nitrophenoxy)methyl]pyrazin-2-yl]hydrazine
SMILESNNc1cnc(COc2cc(Br)cc([N+](=O)[O-])c2)cn1
InChIInChI=1S/C11H10BrN5O3/c12-7-1-9(17(18)19)3-10(2-7)20-6-8-4-15-11(16-13)5-14-8/h1-5H,6,13H2,(H,15,16)
InChIKeyISPBRQUAIVPRQW-UHFFFAOYSA-N
MW340.14 g/mol
LogP2.01
Rot. Bonds5

About [5-[(3-bromo-5-nitrophenoxy)methyl]pyrazin-2-yl]hydrazine

[5-[(3-bromo-5-nitrophenoxy)methyl]pyrazin-2-yl]hydrazine (PubChem CID 103589476) has the molecular formula C11H10BrN5O3 and a molecular weight of 340.14 g/mol. Its IUPAC name is [5-[(3-bromo-5-nitrophenoxy)methyl]pyrazin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(3-bromo-5-nitrophenoxy)methyl]pyrazin-2-yl]hydrazine
PubChem CID103589476
Molecular FormulaC11H10BrN5O3
Molecular Weight340.14 g/mol
Exact Mass339.00
IUPAC Name[5-[(3-bromo-5-nitrophenoxy)methyl]pyrazin-2-yl]hydrazine
SMILESNNc1cnc(COc2cc(Br)cc([N+](=O)[O-])c2)cn1
InChIInChI=1S/C11H10BrN5O3/c12-7-1-9(17(18)19)3-10(2-7)20-6-8-4-15-11(16-13)5-14-8/h1-5H,6,13H2,(H,15,16)
InChIKeyISPBRQUAIVPRQW-UHFFFAOYSA-N
XLogP2.01
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 52.01
H-Bond Donors ≤ 52
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

[6-[(3-bromo-5-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 103589474
[5-[(3-bromo-5-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 103589477
[6-(3-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine
CID 103589022
2-[(3-bromo-5-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 103589511
9-(3-bromo-5-nitrophenoxy)nonane-1-thiol
CID 103589603
1-bromo-3-(5-chloropentoxy)-5-nitrobenzene
CID 103588512
[4-[(3-bromo-5-nitrophenoxy)methyl]phenyl]methanol
CID 103589250
1-bromo-3-(3-bromopropoxy)-5-nitrobenzene
CID 103588530
2-(3-bromo-5-nitrophenoxy)ethanesulfonamide
CID 103589539
2-(3-bromo-5-nitrophenoxy)-N-methylethanamine
CID 103588685
1-(3-bromo-5-nitrophenoxy)-2-methylpropan-2-amine
CID 142787277
(E)-4-(3-bromo-5-nitrophenoxy)but-2-en-1-amine
CID 103588700

Frequently Asked Questions

What is the IUPAC name of [5-[(3-bromo-5-nitrophenoxy)methyl]pyrazin-2-yl]hydrazine?
The IUPAC name of [5-[(3-bromo-5-nitrophenoxy)methyl]pyrazin-2-yl]hydrazine (CID 103589476) is [5-[(3-bromo-5-nitrophenoxy)methyl]pyrazin-2-yl]hydrazine.
What is the SMILES notation for [5-[(3-bromo-5-nitrophenoxy)methyl]pyrazin-2-yl]hydrazine?
The canonical SMILES for [5-[(3-bromo-5-nitrophenoxy)methyl]pyrazin-2-yl]hydrazine is NNc1cnc(COc2cc(Br)cc([N+](=O)[O-])c2)cn1.
What is the InChIKey of [5-[(3-bromo-5-nitrophenoxy)methyl]pyrazin-2-yl]hydrazine?
The InChIKey is ISPBRQUAIVPRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5O3/c12-7-1-9(17(18)19)3-10(2-7)20-6-8-4-15-11(16-13)5-14-8/h1-5H,6,13H2,(H,15,16).
What are the key properties of [5-[(3-bromo-5-nitrophenoxy)methyl]pyrazin-2-yl]hydrazine?
[5-[(3-bromo-5-nitrophenoxy)methyl]pyrazin-2-yl]hydrazine has a molecular weight of 340.14 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-bromo-5-nitrophenoxy)methyl]pyrazin-2-yl]hydrazine is sourced from PubChem (CID 103589476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).