[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]hydrazine

C13H14BrN3O — CID 83140991

IUPAC[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]hydrazine
SMILESCc1cc(OCc2cccc(NN)n2)ccc1Br
InChIInChI=1S/C13H14BrN3O/c1-9-7-11(5-6-12(9)14)18-8-10-3-2-4-13(16-10)17-15/h2-7H,8,15H2,1H3,(H,16,17)
InChIKeyRZPCYMWBMBTFCH-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.02
Rot. Bonds4

About [6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]hydrazine

[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]hydrazine (PubChem CID 83140991) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is [6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]hydrazine
PubChem CID83140991
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]hydrazine
SMILESCc1cc(OCc2cccc(NN)n2)ccc1Br
InChIInChI=1S/C13H14BrN3O/c1-9-7-11(5-6-12(9)14)18-8-10-3-2-4-13(16-10)17-15/h2-7H,8,15H2,1H3,(H,16,17)
InChIKeyRZPCYMWBMBTFCH-UHFFFAOYSA-N
XLogP3.02
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.02
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

[6-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 79232634
[6-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]hydrazine
CID 79232593
N-[[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 106908616
[6-[(3-tert-butylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 79230468
[2-[(4-bromo-3-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 83141076
4-[(4-bromo-3-methylphenoxy)methyl]pyrimidin-2-amine
CID 112751405
2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline
CID 79267749
3-[(6-hydrazinyl-2-pyridinyl)methoxy]benzonitrile
CID 79234453
[6-[(4-tert-butyl-2-methylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 79232587
N-methyl-6-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 79239350
6-[(3-bromophenoxy)methyl]-N-methylpyridin-2-amine
CID 79239184
[4-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 83134833

Frequently Asked Questions

What is the IUPAC name of [6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]hydrazine?
The IUPAC name of [6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]hydrazine (CID 83140991) is [6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]hydrazine is Cc1cc(OCc2cccc(NN)n2)ccc1Br.
What is the InChIKey of [6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]hydrazine?
The InChIKey is RZPCYMWBMBTFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-9-7-11(5-6-12(9)14)18-8-10-3-2-4-13(16-10)17-15/h2-7H,8,15H2,1H3,(H,16,17).
What are the key properties of [6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]hydrazine?
[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]hydrazine has a molecular weight of 308.18 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 83140991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).