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

C13H14BrN3O — CID 107285501

IUPAC[3-[(5-bromo-2-methylphenoxy)methyl]-2-pyridinyl]hydrazine
SMILESCc1ccc(Br)cc1OCc1cccnc1NN
InChIInChI=1S/C13H14BrN3O/c1-9-4-5-11(14)7-12(9)18-8-10-3-2-6-16-13(10)17-15/h2-7H,8,15H2,1H3,(H,16,17)
InChIKeyRLTMANOMTGIGEV-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.02
Rot. Bonds4

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

[3-[(5-bromo-2-methylphenoxy)methyl]-2-pyridinyl]hydrazine (PubChem CID 107285501) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is [3-[(5-bromo-2-methylphenoxy)methyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[3-[(5-bromo-2-methylphenoxy)methyl]-2-pyridinyl]hydrazine
PubChem CID107285501
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name[3-[(5-bromo-2-methylphenoxy)methyl]-2-pyridinyl]hydrazine
SMILESCc1ccc(Br)cc1OCc1cccnc1NN
InChIInChI=1S/C13H14BrN3O/c1-9-4-5-11(14)7-12(9)18-8-10-3-2-6-16-13(10)17-15/h2-7H,8,15H2,1H3,(H,16,17)
InChIKeyRLTMANOMTGIGEV-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

8-[(5-bromo-2-methylphenoxy)methyl]quinoline
CID 107283970
[3-[(2,5-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 63184291
[3-[(4-chloro-2,6-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 55075282
2-[2-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanamine
CID 114057591
[3-[(4-bromophenyl)methoxy]-2-pyridinyl]hydrazine
CID 82056386
1-[(5-bromo-2-methylphenoxy)methyl]-2-chloro-3-fluorobenzene
CID 107284217
[4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 107285504
3-[(2,3-dimethylphenoxy)methyl]-N-methylpyridin-2-amine
CID 62464069
N-ethyl-3-[(2-methyl-5-nitrophenoxy)methyl]pyridin-2-amine
CID 62466385
4-[(5-bromo-2-methylphenoxy)methyl]-2-methylquinoline
CID 107284170
[3-[(4-fluorophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62465552
[3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine
CID 107283560

Frequently Asked Questions

What is the IUPAC name of [3-[(5-bromo-2-methylphenoxy)methyl]-2-pyridinyl]hydrazine?
The IUPAC name of [3-[(5-bromo-2-methylphenoxy)methyl]-2-pyridinyl]hydrazine (CID 107285501) is [3-[(5-bromo-2-methylphenoxy)methyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [3-[(5-bromo-2-methylphenoxy)methyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [3-[(5-bromo-2-methylphenoxy)methyl]-2-pyridinyl]hydrazine is Cc1ccc(Br)cc1OCc1cccnc1NN.
What is the InChIKey of [3-[(5-bromo-2-methylphenoxy)methyl]-2-pyridinyl]hydrazine?
The InChIKey is RLTMANOMTGIGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-9-4-5-11(14)7-12(9)18-8-10-3-2-6-16-13(10)17-15/h2-7H,8,15H2,1H3,(H,16,17).
What are the key properties of [3-[(5-bromo-2-methylphenoxy)methyl]-2-pyridinyl]hydrazine?
[3-[(5-bromo-2-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 [3-[(5-bromo-2-methylphenoxy)methyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 107285501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).