[6-[(3-bromo-5-nitrophenoxy)methyl]-2-pyridinyl]hydrazine

C12H11BrN4O3 — CID 103589474

IUPAC[6-[(3-bromo-5-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
SMILESNNc1cccc(COc2cc(Br)cc([N+](=O)[O-])c2)n1
InChIInChI=1S/C12H11BrN4O3/c13-8-4-10(17(18)19)6-11(5-8)20-7-9-2-1-3-12(15-9)16-14/h1-6H,7,14H2,(H,15,16)
InChIKeyFRMFBCNEVPULGQ-UHFFFAOYSA-N
MW339.15 g/mol
LogP2.62
Rot. Bonds5

About [6-[(3-bromo-5-nitrophenoxy)methyl]-2-pyridinyl]hydrazine

[6-[(3-bromo-5-nitrophenoxy)methyl]-2-pyridinyl]hydrazine (PubChem CID 103589474) has the molecular formula C12H11BrN4O3 and a molecular weight of 339.15 g/mol. Its IUPAC name is [6-[(3-bromo-5-nitrophenoxy)methyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-[(3-bromo-5-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
PubChem CID103589474
Molecular FormulaC12H11BrN4O3
Molecular Weight339.15 g/mol
Exact Mass338.00
IUPAC Name[6-[(3-bromo-5-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
SMILESNNc1cccc(COc2cc(Br)cc([N+](=O)[O-])c2)n1
InChIInChI=1S/C12H11BrN4O3/c13-8-4-10(17(18)19)6-11(5-8)20-7-9-2-1-3-12(15-9)16-14/h1-6H,7,14H2,(H,15,16)
InChIKeyFRMFBCNEVPULGQ-UHFFFAOYSA-N
XLogP2.62
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[5-[(3-bromo-5-nitrophenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103589476
[6-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]hydrazine
CID 79232593
[5-[(3-bromo-5-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 103589477
[6-[(4-methoxy-2-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 79233113
[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 83140991
[6-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 79232634
[6-(3-bromophenoxy)-4-nitro-2-pyridinyl]hydrazine
CID 114071582
[6-(3-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine
CID 103589022
[4-[(3-bromo-5-nitrophenoxy)methyl]phenyl]methanol
CID 103589250
[6-[(3-tert-butylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 79230468
2-(3-bromo-5-nitrophenoxy)ethanesulfonamide
CID 103589539
2-[(3-bromo-5-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 103589511

Frequently Asked Questions

What is the IUPAC name of [6-[(3-bromo-5-nitrophenoxy)methyl]-2-pyridinyl]hydrazine?
The IUPAC name of [6-[(3-bromo-5-nitrophenoxy)methyl]-2-pyridinyl]hydrazine (CID 103589474) is [6-[(3-bromo-5-nitrophenoxy)methyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-[(3-bromo-5-nitrophenoxy)methyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [6-[(3-bromo-5-nitrophenoxy)methyl]-2-pyridinyl]hydrazine is NNc1cccc(COc2cc(Br)cc([N+](=O)[O-])c2)n1.
What is the InChIKey of [6-[(3-bromo-5-nitrophenoxy)methyl]-2-pyridinyl]hydrazine?
The InChIKey is FRMFBCNEVPULGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O3/c13-8-4-10(17(18)19)6-11(5-8)20-7-9-2-1-3-12(15-9)16-14/h1-6H,7,14H2,(H,15,16).
What are the key properties of [6-[(3-bromo-5-nitrophenoxy)methyl]-2-pyridinyl]hydrazine?
[6-[(3-bromo-5-nitrophenoxy)methyl]-2-pyridinyl]hydrazine has a molecular weight of 339.15 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-bromo-5-nitrophenoxy)methyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 103589474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).