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

C15H18BrN3O — CID 105204924

IUPAC[1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
SMILESCOc1ccccc1CC(Cc1cncc(Br)c1)NN
InChIInChI=1S/C15H18BrN3O/c1-20-15-5-3-2-4-12(15)8-14(19-17)7-11-6-13(16)10-18-9-11/h2-6,9-10,14,19H,7-8,17H2,1H3
InChIKeyJCCYMDODOCWSIQ-UHFFFAOYSA-N
MW336.23 g/mol
LogP2.47
Rot. Bonds6

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

[1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine (PubChem CID 105204924) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is [1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
PubChem CID105204924
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name[1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
SMILESCOc1ccccc1CC(Cc1cncc(Br)c1)NN
InChIInChI=1S/C15H18BrN3O/c1-20-15-5-3-2-4-12(15)8-14(19-17)7-11-6-13(16)10-18-9-11/h2-6,9-10,14,19H,7-8,17H2,1H3
InChIKeyJCCYMDODOCWSIQ-UHFFFAOYSA-N
XLogP2.47
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 52.47
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)butan-2-ylhydrazine
CID 105200907
[1-(3,5-difluorophenyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105206803
[1-(3-chloro-4-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105205014
[1-(5-bromo-3-pyridinyl)-3-phenoxypropan-2-yl]hydrazine
CID 105212897
1-(5-bromo-3-pyridinyl)pentan-2-ylhydrazine
CID 105202011
3-(5-bromo-3-pyridinyl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244614
[1-(3,5-dibromo-2-pyridinyl)-2-(2-methoxyphenyl)ethyl]hydrazine
CID 105268540
[1-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105200254
3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
CID 115580496
[4-ethyl-1-(2-methoxyphenyl)hexan-2-yl]hydrazine
CID 105205098
[1-(5-bromo-3-pyridinyl)-4-methylhexan-2-yl]hydrazine
CID 105334788
[1-(5-bromo-3-pyridinyl)-4-propoxybutan-2-yl]hydrazine
CID 105334758

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine (CID 105204924) is [1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine is COc1ccccc1CC(Cc1cncc(Br)c1)NN.
What is the InChIKey of [1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine?
The InChIKey is JCCYMDODOCWSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-20-15-5-3-2-4-12(15)8-14(19-17)7-11-6-13(16)10-18-9-11/h2-6,9-10,14,19H,7-8,17H2,1H3.
What are the key properties of [1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine?
[1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine has a molecular weight of 336.23 g/mol, XLogP of 2.47, 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-(2-methoxyphenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105204924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).