[2-(3-bromo-5-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine

C11H9BrF2N4 — CID 66424697

IUPAC[2-(3-bromo-5-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(-c2cc(F)cc(Br)c2)nc(NN)c1F
InChIInChI=1S/C11H9BrF2N4/c1-5-9(14)11(18-15)17-10(16-5)6-2-7(12)4-8(13)3-6/h2-4H,15H2,1H3,(H,16,17,18)
InChIKeyZOGSTRZUOLKMHN-UHFFFAOYSA-N
MW315.12 g/mol
LogP2.78
Rot. Bonds2

About [2-(3-bromo-5-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine

[2-(3-bromo-5-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine (PubChem CID 66424697) has the molecular formula C11H9BrF2N4 and a molecular weight of 315.12 g/mol. Its IUPAC name is [2-(3-bromo-5-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromo-5-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
PubChem CID66424697
Molecular FormulaC11H9BrF2N4
Molecular Weight315.12 g/mol
Exact Mass314.00
IUPAC Name[2-(3-bromo-5-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(-c2cc(F)cc(Br)c2)nc(NN)c1F
InChIInChI=1S/C11H9BrF2N4/c1-5-9(14)11(18-15)17-10(16-5)6-2-7(12)4-8(13)3-6/h2-4H,15H2,1H3,(H,16,17,18)
InChIKeyZOGSTRZUOLKMHN-UHFFFAOYSA-N
XLogP2.78
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 52.78
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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Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-5-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(3-bromo-5-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine (CID 66424697) is [2-(3-bromo-5-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(3-bromo-5-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(3-bromo-5-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine is Cc1nc(-c2cc(F)cc(Br)c2)nc(NN)c1F.
What is the InChIKey of [2-(3-bromo-5-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine?
The InChIKey is ZOGSTRZUOLKMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF2N4/c1-5-9(14)11(18-15)17-10(16-5)6-2-7(12)4-8(13)3-6/h2-4H,15H2,1H3,(H,16,17,18).
What are the key properties of [2-(3-bromo-5-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine?
[2-(3-bromo-5-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine has a molecular weight of 315.12 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-5-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 66424697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).