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

C15H18BrN3O — CID 105330014

IUPAC[(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
SMILESCCOc1cncc(C(NN)c2cc(C)ccc2Br)c1
InChIInChI=1S/C15H18BrN3O/c1-3-20-12-7-11(8-18-9-12)15(19-17)13-6-10(2)4-5-14(13)16/h4-9,15,19H,3,17H2,1-2H3
InChIKeyVCMKIVFRCUCWNC-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.10
Rot. Bonds5

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

[(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine (PubChem CID 105330014) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is [(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
PubChem CID105330014
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name[(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
SMILESCCOc1cncc(C(NN)c2cc(C)ccc2Br)c1
InChIInChI=1S/C15H18BrN3O/c1-3-20-12-7-11(8-18-9-12)15(19-17)13-6-10(2)4-5-14(13)16/h4-9,15,19H,3,17H2,1-2H3
InChIKeyVCMKIVFRCUCWNC-UHFFFAOYSA-N
XLogP3.10
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.10
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

N-[(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
CID 105026416
[(2,5-dimethylphenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105330089
1-(2-bromo-5-methylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025878
N-[(2,5-dibromophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
CID 105026527
[(3,5-dimethyl-2-pyridinyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105266409
[(5-ethoxy-3-pyridinyl)-(5-fluoro-2-methylphenyl)methyl]hydrazine
CID 105211593
[(2-fluoro-4-methylphenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105330079
[(4-chloro-2-methoxyphenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105330019
[(2,4-difluoro-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105329988
1-(2-bromo-5-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022211
[(2,3-difluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105329980
[(3,5-dichlorophenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105329954

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine?
The IUPAC name of [(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine (CID 105330014) is [(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine is CCOc1cncc(C(NN)c2cc(C)ccc2Br)c1.
What is the InChIKey of [(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine?
The InChIKey is VCMKIVFRCUCWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-3-20-12-7-11(8-18-9-12)15(19-17)13-6-10(2)4-5-14(13)16/h4-9,15,19H,3,17H2,1-2H3.
What are the key properties of [(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine?
[(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine has a molecular weight of 336.23 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine is sourced from PubChem (CID 105330014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).