2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)-4-pyridin-4-ylpiperazine;1-pyridin-4-ylpiperazine

C30H35Br2IN8O2 — CID 159646472

IUPAC2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)-4-pyridin-4-ylpiperazine;1-pyridin-4-ylpiperazine
SMILESCOc1ccc(I)nc1Br.COc1ccc(N2CCN(c3ccncc3)CC2)nc1Br.c1cc(N2CCNCC2)ccn1
InChIInChI=1S/C15H17BrN4O.C9H13N3.C6H5BrINO/c1-21-13-2-3-14(18-15(13)16)20-10-8-19(9-11-20)12-4-6-17-7-5-12;1-3-10-4-2-9(1)12-7-5-11-6-8-12;1-10-4-2-3-5(8)9-6(4)7/h2-7H,8-11H2,1H3;1-4,11H,5-8H2;2-3H,1H3
InChIKeyMRAGWTDCSZEWJU-UHFFFAOYSA-N
MW826.38 g/mol
LogP5.52
Rot. Bonds5

About 2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)-4-pyridin-4-ylpiperazine;1-pyridin-4-ylpiperazine

2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)-4-pyridin-4-ylpiperazine;1-pyridin-4-ylpiperazine (PubChem CID 159646472) has the molecular formula C30H35Br2IN8O2 and a molecular weight of 826.38 g/mol. Its IUPAC name is 2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)-4-pyridin-4-ylpiperazine;1-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)-4-pyridin-4-ylpiperazine;1-pyridin-4-ylpiperazine
PubChem CID159646472
Molecular FormulaC30H35Br2IN8O2
Molecular Weight826.38 g/mol
Exact Mass824.03
IUPAC Name2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)-4-pyridin-4-ylpiperazine;1-pyridin-4-ylpiperazine
SMILESCOc1ccc(I)nc1Br.COc1ccc(N2CCN(c3ccncc3)CC2)nc1Br.c1cc(N2CCNCC2)ccn1
InChIInChI=1S/C15H17BrN4O.C9H13N3.C6H5BrINO/c1-21-13-2-3-14(18-15(13)16)20-10-8-19(9-11-20)12-4-6-17-7-5-12;1-3-10-4-2-9(1)12-7-5-11-6-8-12;1-10-4-2-3-5(8)9-6(4)7/h2-7H,8-11H2,1H3;1-4,11H,5-8H2;2-3H,1H3
InChIKeyMRAGWTDCSZEWJU-UHFFFAOYSA-N
XLogP5.52
TPSA91.77 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.38
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)-4-pyridin-4-ylpiperazine;1-pyridin-4-ylpiperazine with MolForge

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

Launch Full Analysis

Related Compounds

1-(6-bromo-5-methoxy-2-pyridinyl)-4-ethylpiperazine
CID 88570050
1-(5-bromo-6-methoxy-2-pyridinyl)piperazine;dihydrochloride
CID 127263496
2-methoxy-6-piperazin-1-ylpyridin-3-amine
CID 62137469
1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride
CID 22625407
methyl 2-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxylate
CID 133432159
6-bromo-7-fluoro-2-(4-pyridin-4-ylpiperazin-1-yl)quinoline
CID 133358648
1-[(3,4-dimethoxyphenyl)-pyridin-4-ylmethyl]piperazine
CID 3874213
2-methyl-4-piperidin-1-yl-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine
CID 165433055
6-(3,4-dimethoxyphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)hexa-2,5-diene-1,4-dione
CID 74319464
1-(3,5-dimethoxyphenyl)piperazine
CID 2736205
1-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]piperazine
CID 115410866
1-(3,4,5-trimethoxyphenyl)piperazine;hydrobromide
CID 12899422

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)-4-pyridin-4-ylpiperazine;1-pyridin-4-ylpiperazine?
The IUPAC name of 2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)-4-pyridin-4-ylpiperazine;1-pyridin-4-ylpiperazine (CID 159646472) is 2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)-4-pyridin-4-ylpiperazine;1-pyridin-4-ylpiperazine.
What is the SMILES notation for 2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)-4-pyridin-4-ylpiperazine;1-pyridin-4-ylpiperazine?
The canonical SMILES for 2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)-4-pyridin-4-ylpiperazine;1-pyridin-4-ylpiperazine is COc1ccc(I)nc1Br.COc1ccc(N2CCN(c3ccncc3)CC2)nc1Br.c1cc(N2CCNCC2)ccn1.
What is the InChIKey of 2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)-4-pyridin-4-ylpiperazine;1-pyridin-4-ylpiperazine?
The InChIKey is MRAGWTDCSZEWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O.C9H13N3.C6H5BrINO/c1-21-13-2-3-14(18-15(13)16)20-10-8-19(9-11-20)12-4-6-17-7-5-12;1-3-10-4-2-9(1)12-7-5-11-6-8-12;1-10-4-2-3-5(8)9-6(4)7/h2-7H,8-11H2,1H3;1-4,11H,5-8H2;2-3H,1H3.
What are the key properties of 2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)-4-pyridin-4-ylpiperazine;1-pyridin-4-ylpiperazine?
2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)-4-pyridin-4-ylpiperazine;1-pyridin-4-ylpiperazine has a molecular weight of 826.38 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)-4-pyridin-4-ylpiperazine;1-pyridin-4-ylpiperazine is sourced from PubChem (CID 159646472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).