[2-(4-bromo-2-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine

C12H12BrFN4 — CID 102924182

IUPAC[2-(4-bromo-2-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine
SMILESNNC(Cc1ccc(Br)cc1F)c1cncnc1
InChIInChI=1S/C12H12BrFN4/c13-10-2-1-8(11(14)4-10)3-12(18-15)9-5-16-7-17-6-9/h1-2,4-7,12,18H,3,15H2
InChIKeyHYXJMRBFZKXCBV-UHFFFAOYSA-N
MW311.16 g/mol
LogP2.13
Rot. Bonds4

About [2-(4-bromo-2-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine

[2-(4-bromo-2-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine (PubChem CID 102924182) has the molecular formula C12H12BrFN4 and a molecular weight of 311.16 g/mol. Its IUPAC name is [2-(4-bromo-2-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromo-2-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine
PubChem CID102924182
Molecular FormulaC12H12BrFN4
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name[2-(4-bromo-2-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine
SMILESNNC(Cc1ccc(Br)cc1F)c1cncnc1
InChIInChI=1S/C12H12BrFN4/c13-10-2-1-8(11(14)4-10)3-12(18-15)9-5-16-7-17-6-9/h1-2,4-7,12,18H,3,15H2
InChIKeyHYXJMRBFZKXCBV-UHFFFAOYSA-N
XLogP2.13
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 52.13
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-(4-bromo-2-fluorophenyl)-1-(2,4-dibromophenyl)ethyl]hydrazine
CID 107948139
4-[2-(4-bromo-2-fluorophenyl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
CID 105231027
[2-(2-bromophenyl)-1-pyrimidin-5-ylethyl]hydrazine
CID 105214865
[2-(4-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethyl]hydrazine
CID 105297391
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 102923349
[2-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105297423
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105137243
[2-(4-bromo-2-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105297488
[2-(4-bromo-2-fluorophenyl)-1-(2-chloro-6-fluorophenyl)ethyl]hydrazine
CID 105297341
2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylethanol
CID 55096037
[2-(4-chloro-3-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine
CID 107895625
[2-(4-bromo-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethyl]hydrazine
CID 105297343

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine?
The IUPAC name of [2-(4-bromo-2-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine (CID 102924182) is [2-(4-bromo-2-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine.
What is the SMILES notation for [2-(4-bromo-2-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine?
The canonical SMILES for [2-(4-bromo-2-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine is NNC(Cc1ccc(Br)cc1F)c1cncnc1.
What is the InChIKey of [2-(4-bromo-2-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine?
The InChIKey is HYXJMRBFZKXCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN4/c13-10-2-1-8(11(14)4-10)3-12(18-15)9-5-16-7-17-6-9/h1-2,4-7,12,18H,3,15H2.
What are the key properties of [2-(4-bromo-2-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine?
[2-(4-bromo-2-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine has a molecular weight of 311.16 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine is sourced from PubChem (CID 102924182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).