1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine

C₁₀H₁₅BrN₂O — CID 104801563

About 1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine

1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine (PubChem CID 104801563) has the molecular formula C₁₀H₁₅BrN₂O and a molecular weight of 259.15 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine.

Molecular Properties

• Compound Name: 1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine
• PubChem CID: 104801563
• Molecular Formula: C₁₀H₁₅BrN₂O
• Molecular Weight: 259.15 g/mol
• Exact Mass: 258.04
• IUPAC Name: 1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine
• SMILES: COCCC(N)Cc1ccc(Br)cn1
• InChI: InChI=1S/C10H15BrN2O/c1-14-5-4-9(12)6-10-3-2-8(11)7-13-10/h2-3,7,9H,4-6,12H2,1H3
• InChIKey: RFVHHHODRVHQAH-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 48.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	259.15
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine?

The IUPAC name of 1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine (CID 104801563) is 1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine.

What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine?

The canonical SMILES for 1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine is COCCC(N)Cc1ccc(Br)cn1.

What is the InChIKey of 1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine?

The InChIKey is RFVHHHODRVHQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-14-5-4-9(12)6-10-3-2-8(11)7-13-10/h2-3,7,9H,4-6,12H2,1H3.

What are the key properties of 1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine?

1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine has a molecular weight of 259.15 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine is sourced from PubChem (CID 104801563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 104801563 — identifiers, structure, computed properties (public domain)

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