[2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]hydrazine

C16H20BrN3O — CID 107504894

IUPAC[2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]hydrazine
SMILESCOc1ccc(CC(NN)c2cc(C)nc(C)c2)cc1Br
InChIInChI=1S/C16H20BrN3O/c1-10-6-13(7-11(2)19-10)15(20-18)9-12-4-5-16(21-3)14(17)8-12/h4-8,15,20H,9,18H2,1-3H3
InChIKeyPWDCUVHONKOLFC-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.22
Rot. Bonds5

About [2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]hydrazine

[2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]hydrazine (PubChem CID 107504894) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is [2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]hydrazine
PubChem CID107504894
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name[2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]hydrazine
SMILESCOc1ccc(CC(NN)c2cc(C)nc(C)c2)cc1Br
InChIInChI=1S/C16H20BrN3O/c1-10-6-13(7-11(2)19-10)15(20-18)9-12-4-5-16(21-3)14(17)8-12/h4-8,15,20H,9,18H2,1-3H3
InChIKeyPWDCUVHONKOLFC-UHFFFAOYSA-N
XLogP3.22
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.22
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

[2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105203976
[2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 105222004
[1-(2,6-dimethyl-4-pyridinyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 107505113
[1-(3-bromo-4-methoxyphenyl)-3-(4-bromophenyl)propan-2-yl]hydrazine
CID 105195433
[1-(5-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethyl]hydrazine
CID 105290245
[2-(2-bromophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]hydrazine
CID 107504978
[1-(3-bromo-4-methoxyphenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine
CID 105329211
[1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105315855
[1-(3-bromo-4-methoxyphenyl)-3-ethylpentan-2-yl]hydrazine
CID 105290221
2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 105110930
[2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine
CID 105202342
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]hydrazine (CID 107504894) is [2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]hydrazine is COc1ccc(CC(NN)c2cc(C)nc(C)c2)cc1Br.
What is the InChIKey of [2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]hydrazine?
The InChIKey is PWDCUVHONKOLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-10-6-13(7-11(2)19-10)15(20-18)9-12-4-5-16(21-3)14(17)8-12/h4-8,15,20H,9,18H2,1-3H3.
What are the key properties of [2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]hydrazine?
[2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]hydrazine has a molecular weight of 350.26 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]hydrazine is sourced from PubChem (CID 107504894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).