[2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]hydrazine

C11H10BrFN4 — CID 107924057

IUPAC[2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(-c2cc(F)ccc2Br)n1
InChIInChI=1S/C11H10BrFN4/c1-6-4-10(17-14)16-11(15-6)8-5-7(13)2-3-9(8)12/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyCEMQHUKOPWAGRM-UHFFFAOYSA-N
MW297.13 g/mol
LogP2.64
Rot. Bonds2

About [2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]hydrazine

[2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]hydrazine (PubChem CID 107924057) has the molecular formula C11H10BrFN4 and a molecular weight of 297.13 g/mol. Its IUPAC name is [2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]hydrazine
PubChem CID107924057
Molecular FormulaC11H10BrFN4
Molecular Weight297.13 g/mol
Exact Mass296.01
IUPAC Name[2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(-c2cc(F)ccc2Br)n1
InChIInChI=1S/C11H10BrFN4/c1-6-4-10(17-14)16-11(15-6)8-5-7(13)2-3-9(8)12/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyCEMQHUKOPWAGRM-UHFFFAOYSA-N
XLogP2.64
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 52.64
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'}

Analyze [2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]hydrazine (CID 107924057) is [2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]hydrazine is Cc1cc(NN)nc(-c2cc(F)ccc2Br)n1.
What is the InChIKey of [2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]hydrazine?
The InChIKey is CEMQHUKOPWAGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4/c1-6-4-10(17-14)16-11(15-6)8-5-7(13)2-3-9(8)12/h2-5H,14H2,1H3,(H,15,16,17).
What are the key properties of [2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]hydrazine?
[2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]hydrazine has a molecular weight of 297.13 g/mol, XLogP of 2.64, 2 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)-6-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 107924057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).