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

C12H12BrFN4 — CID 105203759

IUPAC[2-(2-bromo-5-fluorophenyl)-1-pyrimidin-2-ylethyl]hydrazine
SMILESNNC(Cc1cc(F)ccc1Br)c1ncccn1
InChIInChI=1S/C12H12BrFN4/c13-10-3-2-9(14)6-8(10)7-11(18-15)12-16-4-1-5-17-12/h1-6,11,18H,7,15H2
InChIKeyFJBLUXPCGWOFCL-UHFFFAOYSA-N
MW311.16 g/mol
LogP2.13
Rot. Bonds4

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

[2-(2-bromo-5-fluorophenyl)-1-pyrimidin-2-ylethyl]hydrazine (PubChem CID 105203759) has the molecular formula C12H12BrFN4 and a molecular weight of 311.16 g/mol. Its IUPAC name is [2-(2-bromo-5-fluorophenyl)-1-pyrimidin-2-ylethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromo-5-fluorophenyl)-1-pyrimidin-2-ylethyl]hydrazine
PubChem CID105203759
Molecular FormulaC12H12BrFN4
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name[2-(2-bromo-5-fluorophenyl)-1-pyrimidin-2-ylethyl]hydrazine
SMILESNNC(Cc1cc(F)ccc1Br)c1ncccn1
InChIInChI=1S/C12H12BrFN4/c13-10-3-2-9(14)6-8(10)7-11(18-15)12-16-4-1-5-17-12/h1-6,11,18H,7,15H2
InChIKeyFJBLUXPCGWOFCL-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-(2-bromo-4-fluorophenyl)-1-pyrimidin-2-ylethyl]hydrazine
CID 105203629
[2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
CID 105261623
[2-(2-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethyl]hydrazine
CID 105207928
[2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethyl]hydrazine
CID 105268470
[2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]hydrazine
CID 105297058
[2-(2-bromo-5-fluorophenyl)-1-(3,4-difluorophenyl)ethyl]hydrazine
CID 105197170
[2-(2-bromo-5-fluorophenyl)-1-(2,4-dibromophenyl)ethyl]hydrazine
CID 107948135
[1-(4-bromo-3-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethyl]hydrazine
CID 105297052
[2-(2-bromo-5-fluorophenyl)-1-(4-bromo-2-fluorophenyl)ethyl]hydrazine
CID 105280999
[2-(2-bromo-5-fluorophenyl)-1-(5-bromothiophen-3-yl)ethyl]hydrazine
CID 105297094
[2-(2-bromo-4-fluorophenyl)-1-(3-fluoro-2-pyridinyl)ethyl]hydrazine
CID 105257780
[1-(3-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)ethyl]hydrazine
CID 105268167

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-5-fluorophenyl)-1-pyrimidin-2-ylethyl]hydrazine?
The IUPAC name of [2-(2-bromo-5-fluorophenyl)-1-pyrimidin-2-ylethyl]hydrazine (CID 105203759) is [2-(2-bromo-5-fluorophenyl)-1-pyrimidin-2-ylethyl]hydrazine.
What is the SMILES notation for [2-(2-bromo-5-fluorophenyl)-1-pyrimidin-2-ylethyl]hydrazine?
The canonical SMILES for [2-(2-bromo-5-fluorophenyl)-1-pyrimidin-2-ylethyl]hydrazine is NNC(Cc1cc(F)ccc1Br)c1ncccn1.
What is the InChIKey of [2-(2-bromo-5-fluorophenyl)-1-pyrimidin-2-ylethyl]hydrazine?
The InChIKey is FJBLUXPCGWOFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN4/c13-10-3-2-9(14)6-8(10)7-11(18-15)12-16-4-1-5-17-12/h1-6,11,18H,7,15H2.
What are the key properties of [2-(2-bromo-5-fluorophenyl)-1-pyrimidin-2-ylethyl]hydrazine?
[2-(2-bromo-5-fluorophenyl)-1-pyrimidin-2-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-(2-bromo-5-fluorophenyl)-1-pyrimidin-2-ylethyl]hydrazine is sourced from PubChem (CID 105203759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).