1-(3-bromo-2-pyridinyl)-4-methylpiperazine;2,3-dibromopyridine

C15H17Br3N4 — CID 159353528

IUPAC1-(3-bromo-2-pyridinyl)-4-methylpiperazine;2,3-dibromopyridine
SMILESBrc1cccnc1Br.CN1CCN(c2ncccc2Br)CC1
InChIInChI=1S/C10H14BrN3.C5H3Br2N/c1-13-5-7-14(8-6-13)10-9(11)3-2-4-12-10;6-4-2-1-3-8-5(4)7/h2-4H,5-8H2,1H3;1-3H
InChIKeyLHPZGSVXTBSCHK-UHFFFAOYSA-N
MW493.04 g/mol
LogP4.20
Rot. Bonds1

About 1-(3-bromo-2-pyridinyl)-4-methylpiperazine;2,3-dibromopyridine

1-(3-bromo-2-pyridinyl)-4-methylpiperazine;2,3-dibromopyridine (PubChem CID 159353528) has the molecular formula C15H17Br3N4 and a molecular weight of 493.04 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-4-methylpiperazine;2,3-dibromopyridine.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-4-methylpiperazine;2,3-dibromopyridine
PubChem CID159353528
Molecular FormulaC15H17Br3N4
Molecular Weight493.04 g/mol
Exact Mass489.90
IUPAC Name1-(3-bromo-2-pyridinyl)-4-methylpiperazine;2,3-dibromopyridine
SMILESBrc1cccnc1Br.CN1CCN(c2ncccc2Br)CC1
InChIInChI=1S/C10H14BrN3.C5H3Br2N/c1-13-5-7-14(8-6-13)10-9(11)3-2-4-12-10;6-4-2-1-3-8-5(4)7/h2-4H,5-8H2,1H3;1-3H
InChIKeyLHPZGSVXTBSCHK-UHFFFAOYSA-N
XLogP4.20
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.04
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-4-methylpiperazine;2,3-dibromopyridine?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-4-methylpiperazine;2,3-dibromopyridine (CID 159353528) is 1-(3-bromo-2-pyridinyl)-4-methylpiperazine;2,3-dibromopyridine.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-4-methylpiperazine;2,3-dibromopyridine?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-4-methylpiperazine;2,3-dibromopyridine is Brc1cccnc1Br.CN1CCN(c2ncccc2Br)CC1.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-4-methylpiperazine;2,3-dibromopyridine?
The InChIKey is LHPZGSVXTBSCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3.C5H3Br2N/c1-13-5-7-14(8-6-13)10-9(11)3-2-4-12-10;6-4-2-1-3-8-5(4)7/h2-4H,5-8H2,1H3;1-3H.
What are the key properties of 1-(3-bromo-2-pyridinyl)-4-methylpiperazine;2,3-dibromopyridine?
1-(3-bromo-2-pyridinyl)-4-methylpiperazine;2,3-dibromopyridine has a molecular weight of 493.04 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)-4-methylpiperazine;2,3-dibromopyridine is sourced from PubChem (CID 159353528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).