[2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethyl]hydrazine

C14H16BrN3O — CID 105284546

IUPAC[2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethyl]hydrazine
SMILESCOc1ncccc1C(Cc1cccc(Br)c1)NN
InChIInChI=1S/C14H16BrN3O/c1-19-14-12(6-3-7-17-14)13(18-16)9-10-4-2-5-11(15)8-10/h2-8,13,18H,9,16H2,1H3
InChIKeyBMFTWWMGTDKVGY-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.60
Rot. Bonds5

About [2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethyl]hydrazine

[2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethyl]hydrazine (PubChem CID 105284546) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is [2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethyl]hydrazine
PubChem CID105284546
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name[2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethyl]hydrazine
SMILESCOc1ncccc1C(Cc1cccc(Br)c1)NN
InChIInChI=1S/C14H16BrN3O/c1-19-14-12(6-3-7-17-14)13(18-16)9-10-4-2-5-11(15)8-10/h2-8,13,18H,9,16H2,1H3
InChIKeyBMFTWWMGTDKVGY-UHFFFAOYSA-N
XLogP2.60
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethyl]hydrazine (CID 105284546) is [2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethyl]hydrazine is COc1ncccc1C(Cc1cccc(Br)c1)NN.
What is the InChIKey of [2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethyl]hydrazine?
The InChIKey is BMFTWWMGTDKVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-19-14-12(6-3-7-17-14)13(18-16)9-10-4-2-5-11(15)8-10/h2-8,13,18H,9,16H2,1H3.
What are the key properties of [2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethyl]hydrazine?
[2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethyl]hydrazine has a molecular weight of 322.21 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethyl]hydrazine is sourced from PubChem (CID 105284546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).