[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine

C₁₀H₉BrFN₃ — CID 79516871

About [2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine

[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine (PubChem CID 79516871) has the molecular formula C₁₀H₉BrFN₃ and a molecular weight of 270.11 g/mol. Its IUPAC name is [2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine.

Molecular Properties

• Compound Name: [2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine
• PubChem CID: 79516871
• Molecular Formula: C₁₀H₉BrFN₃
• Molecular Weight: 270.11 g/mol
• Exact Mass: 269.00
• IUPAC Name: [2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine
• SMILES: NCc1c(F)cccc1-n1cc(Br)cn1
• InChI: InChI=1S/C10H9BrFN3/c11-7-5-14-15(6-7)10-3-1-2-9(12)8(10)4-13/h1-3,5-6H,4,13H2
• InChIKey: RXCQTCKMVPSEHK-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 43.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	270.11
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine?

The IUPAC name of [2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine (CID 79516871) is [2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine.

What is the SMILES notation for [2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine?

The canonical SMILES for [2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine is NCc1c(F)cccc1-n1cc(Br)cn1.

What is the InChIKey of [2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine?

The InChIKey is RXCQTCKMVPSEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3/c11-7-5-14-15(6-7)10-3-1-2-9(12)8(10)4-13/h1-3,5-6H,4,13H2.

What are the key properties of [2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine?

[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine has a molecular weight of 270.11 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine is sourced from PubChem (CID 79516871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 79516871 — identifiers, structure, computed properties (public domain)

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