[(3-bromo-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine

C14H16BrN3O2 — CID 105329820

IUPAC[(3-bromo-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
SMILESCOc1cncc(C(NN)c2ccc(OC)c(Br)c2)c1
InChIInChI=1S/C14H16BrN3O2/c1-19-11-5-10(7-17-8-11)14(18-16)9-3-4-13(20-2)12(15)6-9/h3-8,14,18H,16H2,1-2H3
InChIKeyMSBPQEPGRJDAFA-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.41
Rot. Bonds5

About [(3-bromo-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine

[(3-bromo-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine (PubChem CID 105329820) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is [(3-bromo-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
PubChem CID105329820
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name[(3-bromo-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
SMILESCOc1cncc(C(NN)c2ccc(OC)c(Br)c2)c1
InChIInChI=1S/C14H16BrN3O2/c1-19-11-5-10(7-17-8-11)14(18-16)9-3-4-13(20-2)12(15)6-9/h3-8,14,18H,16H2,1-2H3
InChIKeyMSBPQEPGRJDAFA-UHFFFAOYSA-N
XLogP2.41
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[(3,5-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105329847
[(2-methoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105191302
[(2-bromophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105208806
[(4-fluoro-3-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105204218
[(5-methoxy-3-pyridinyl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105329816
[(3-bromo-4-methoxyphenyl)-(4-ethoxyphenyl)methyl]hydrazine
CID 105300768
[(3-fluorophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105193182
1-(3-bromo-4-methoxyphenyl)ethylhydrazine
CID 82478801
[(5-bromo-3-pyridinyl)-(3,5-dimethoxyphenyl)methyl]hydrazine
CID 105251245
(3-bromo-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027469
[(3-bromo-4-methoxyphenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105312956
[(4-bromothiophen-2-yl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105222663

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine?
The IUPAC name of [(3-bromo-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine (CID 105329820) is [(3-bromo-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine is COc1cncc(C(NN)c2ccc(OC)c(Br)c2)c1.
What is the InChIKey of [(3-bromo-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine?
The InChIKey is MSBPQEPGRJDAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-19-11-5-10(7-17-8-11)14(18-16)9-3-4-13(20-2)12(15)6-9/h3-8,14,18H,16H2,1-2H3.
What are the key properties of [(3-bromo-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine?
[(3-bromo-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine has a molecular weight of 338.21 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine is sourced from PubChem (CID 105329820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).