[1-(5-bromo-3-pyridinyl)-3-phenoxypropan-2-yl]hydrazine

C14H16BrN3O — CID 105212897

IUPAC[1-(5-bromo-3-pyridinyl)-3-phenoxypropan-2-yl]hydrazine
SMILESNNC(COc1ccccc1)Cc1cncc(Br)c1
InChIInChI=1S/C14H16BrN3O/c15-12-6-11(8-17-9-12)7-13(18-16)10-19-14-4-2-1-3-5-14/h1-6,8-9,13,18H,7,10,16H2
InChIKeyYTEDUNVXJVGLBC-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.30
Rot. Bonds6

About [1-(5-bromo-3-pyridinyl)-3-phenoxypropan-2-yl]hydrazine

[1-(5-bromo-3-pyridinyl)-3-phenoxypropan-2-yl]hydrazine (PubChem CID 105212897) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is [1-(5-bromo-3-pyridinyl)-3-phenoxypropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-3-pyridinyl)-3-phenoxypropan-2-yl]hydrazine
PubChem CID105212897
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name[1-(5-bromo-3-pyridinyl)-3-phenoxypropan-2-yl]hydrazine
SMILESNNC(COc1ccccc1)Cc1cncc(Br)c1
InChIInChI=1S/C14H16BrN3O/c15-12-6-11(8-17-9-12)7-13(18-16)10-19-14-4-2-1-3-5-14/h1-6,8-9,13,18H,7,10,16H2
InChIKeyYTEDUNVXJVGLBC-UHFFFAOYSA-N
XLogP2.30
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.30
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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Related Compounds

1-(5-bromo-3-pyridinyl)-N-ethyl-3-phenoxypropan-2-amine
CID 104801827
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CID 105204924
1-(5-bromo-3-pyridinyl)butan-2-ylhydrazine
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1-(5-bromo-3-pyridinyl)pentan-2-ylhydrazine
CID 105202011
3-(5-bromo-3-pyridinyl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
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[1-(5-bromo-3-pyridinyl)-4-methylhexan-2-yl]hydrazine
CID 105334788
[1-(5-bromo-3-pyridinyl)-4-propoxybutan-2-yl]hydrazine
CID 105334758
[2-(5-bromo-3-pyridinyl)-1-(3-propoxyphenyl)ethyl]hydrazine
CID 105334826
[1-(3-bromo-2,6-difluorophenyl)-3-phenoxypropan-2-yl]hydrazine
CID 106270864
1-(5-bromo-3-pyridinyl)propan-2-ylhydrazine
CID 105201192
[2-(5-bromo-3-pyridinyl)-1-quinoxalin-6-ylethyl]hydrazine
CID 105221823
4-(5-bromo-3-pyridinyl)-N,N-diethyl-3-hydrazinylbutan-1-amine
CID 105243945

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3-pyridinyl)-3-phenoxypropan-2-yl]hydrazine?
The IUPAC name of [1-(5-bromo-3-pyridinyl)-3-phenoxypropan-2-yl]hydrazine (CID 105212897) is [1-(5-bromo-3-pyridinyl)-3-phenoxypropan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-bromo-3-pyridinyl)-3-phenoxypropan-2-yl]hydrazine?
The canonical SMILES for [1-(5-bromo-3-pyridinyl)-3-phenoxypropan-2-yl]hydrazine is NNC(COc1ccccc1)Cc1cncc(Br)c1.
What is the InChIKey of [1-(5-bromo-3-pyridinyl)-3-phenoxypropan-2-yl]hydrazine?
The InChIKey is YTEDUNVXJVGLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c15-12-6-11(8-17-9-12)7-13(18-16)10-19-14-4-2-1-3-5-14/h1-6,8-9,13,18H,7,10,16H2.
What are the key properties of [1-(5-bromo-3-pyridinyl)-3-phenoxypropan-2-yl]hydrazine?
[1-(5-bromo-3-pyridinyl)-3-phenoxypropan-2-yl]hydrazine has a molecular weight of 322.21 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-3-pyridinyl)-3-phenoxypropan-2-yl]hydrazine is sourced from PubChem (CID 105212897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).