[2-(2-bromo-3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine

C13H14BrFN4 — CID 105260420

IUPAC[2-(2-bromo-3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine
SMILESCc1nccc(C(Cc2cccc(F)c2Br)NN)n1
InChIInChI=1S/C13H14BrFN4/c1-8-17-6-5-11(18-8)12(19-16)7-9-3-2-4-10(15)13(9)14/h2-6,12,19H,7,16H2,1H3
InChIKeyOHEZEIOYKRCGEC-UHFFFAOYSA-N
MW325.19 g/mol
LogP2.43
Rot. Bonds4

About [2-(2-bromo-3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine

[2-(2-bromo-3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine (PubChem CID 105260420) has the molecular formula C13H14BrFN4 and a molecular weight of 325.19 g/mol. Its IUPAC name is [2-(2-bromo-3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromo-3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine
PubChem CID105260420
Molecular FormulaC13H14BrFN4
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC Name[2-(2-bromo-3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine
SMILESCc1nccc(C(Cc2cccc(F)c2Br)NN)n1
InChIInChI=1S/C13H14BrFN4/c1-8-17-6-5-11(18-8)12(19-16)7-9-3-2-4-10(15)13(9)14/h2-6,12,19H,7,16H2,1H3
InChIKeyOHEZEIOYKRCGEC-UHFFFAOYSA-N
XLogP2.43
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 52.43
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-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine
CID 105267678
[2-(2-bromo-3-fluorophenyl)-1-(2,3-dimethylphenyl)ethyl]hydrazine
CID 105327015
[2-(2-bromo-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105228625
[2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine
CID 105260361
[2-(2-bromo-3-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105211530
[2-(2-bromo-3-fluorophenyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine
CID 105252067
[2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyphenyl)ethyl]hydrazine
CID 105327049
[2-(2-bromo-3-fluorophenyl)-1-(2-ethoxyphenyl)ethyl]hydrazine
CID 105260715
[2-(2-bromo-3-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethyl]hydrazine
CID 105327156
2-(2,3-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 113329452
[1-(2-methylpyrimidin-4-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105260601
[2-(2-bromo-3-fluorophenyl)-1-(4-bromo-3-fluorophenyl)ethyl]hydrazine
CID 105327124

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-bromo-3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine (CID 105260420) is [2-(2-bromo-3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-bromo-3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-bromo-3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine is Cc1nccc(C(Cc2cccc(F)c2Br)NN)n1.
What is the InChIKey of [2-(2-bromo-3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine?
The InChIKey is OHEZEIOYKRCGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN4/c1-8-17-6-5-11(18-8)12(19-16)7-9-3-2-4-10(15)13(9)14/h2-6,12,19H,7,16H2,1H3.
What are the key properties of [2-(2-bromo-3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine?
[2-(2-bromo-3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine has a molecular weight of 325.19 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105260420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).