2-bromo-4-(2-methylpropyl)pyridine;4-bromo-2-(2-methylpropyl)pyridine;5-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylimidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole

C141H198Br6N22OS — CID 162058836

IUPAC2-bromo-4-(2-methylpropyl)pyridine;4-bromo-2-(2-methylpropyl)pyridine;5-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylimidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
SMILESCC(C)Cc1cc(Br)ccn1.CC(C)Cc1ccc(Br)cn1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccnc(Br)c1.CC(C)Cc1ccncc1.CC(C)c1ccc(Br)nc1.CC(C)c1cccc(Br)n1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccnc(Br)c1.CC(C)c1ccncc1.CC(C)c1cnccn1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1nccn1C.CC(C)c1ncco1.CC(C)c1nccs1
InChIInChI=1S/3C9H12BrN.3C9H13N.3C8H10BrN.3C8H11N.C7H12N2.2C7H10N2.C6H10N2.C6H9NO.C6H9NS/c1-7(2)5-9-6-8(10)3-4-11-9;1-7(2)5-9-4-3-8(10)6-11-9;1-7(2)5-8-3-4-11-9(10)6-8;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-8(9)10-5-7;1-6(2)7-4-3-5-8(9)10-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-5-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;3*1-5(2)6-7-3-4-8-6/h3*3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3*3-6H,1-2H3;3*3-7H,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3
InChIKeyYZNYNICVJUSSMC-UHFFFAOYSA-N
MW2728.78 g/mol
LogP41.83
Rot. Bonds24

About 2-bromo-4-(2-methylpropyl)pyridine;4-bromo-2-(2-methylpropyl)pyridine;5-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylimidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole

2-bromo-4-(2-methylpropyl)pyridine;4-bromo-2-(2-methylpropyl)pyridine;5-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylimidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole (PubChem CID 162058836) has the molecular formula C141H198Br6N22OS and a molecular weight of 2728.78 g/mol. Its IUPAC name is 2-bromo-4-(2-methylpropyl)pyridine;4-bromo-2-(2-methylpropyl)pyridine;5-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylimidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-4-(2-methylpropyl)pyridine;4-bromo-2-(2-methylpropyl)pyridine;5-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylimidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
PubChem CID162058836
Molecular FormulaC141H198Br6N22OS
Molecular Weight2728.78 g/mol
Exact Mass2721.09
IUPAC Name2-bromo-4-(2-methylpropyl)pyridine;4-bromo-2-(2-methylpropyl)pyridine;5-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylimidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
SMILESCC(C)Cc1cc(Br)ccn1.CC(C)Cc1ccc(Br)cn1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccnc(Br)c1.CC(C)Cc1ccncc1.CC(C)c1ccc(Br)nc1.CC(C)c1cccc(Br)n1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccnc(Br)c1.CC(C)c1ccncc1.CC(C)c1cnccn1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1nccn1C.CC(C)c1ncco1.CC(C)c1nccs1
InChIInChI=1S/3C9H12BrN.3C9H13N.3C8H10BrN.3C8H11N.C7H12N2.2C7H10N2.C6H10N2.C6H9NO.C6H9NS/c1-7(2)5-9-6-8(10)3-4-11-9;1-7(2)5-9-4-3-8(10)6-11-9;1-7(2)5-8-3-4-11-9(10)6-8;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-8(9)10-5-7;1-6(2)7-4-3-5-8(9)10-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-5-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;3*1-5(2)6-7-3-4-8-6/h3*3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3*3-6H,1-2H3;3*3-7H,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3
InChIKeyYZNYNICVJUSSMC-UHFFFAOYSA-N
XLogP41.83
TPSA291.66 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms171
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002728.78
LogP ≤ 541.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 2-bromo-4-(2-methylpropyl)pyridine;4-bromo-2-(2-methylpropyl)pyridine;5-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylimidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-methylpropyl)pyridine;4-bromo-2-(2-methylpropyl)pyridine;5-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylimidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-bromo-4-(2-methylpropyl)pyridine;4-bromo-2-(2-methylpropyl)pyridine;5-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylimidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole (CID 162058836) is 2-bromo-4-(2-methylpropyl)pyridine;4-bromo-2-(2-methylpropyl)pyridine;5-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylimidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-bromo-4-(2-methylpropyl)pyridine;4-bromo-2-(2-methylpropyl)pyridine;5-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylimidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-bromo-4-(2-methylpropyl)pyridine;4-bromo-2-(2-methylpropyl)pyridine;5-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylimidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole is CC(C)Cc1cc(Br)ccn1.CC(C)Cc1ccc(Br)cn1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccnc(Br)c1.CC(C)Cc1ccncc1.CC(C)c1ccc(Br)nc1.CC(C)c1cccc(Br)n1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccnc(Br)c1.CC(C)c1ccncc1.CC(C)c1cnccn1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1nccn1C.CC(C)c1ncco1.CC(C)c1nccs1.
What is the InChIKey of 2-bromo-4-(2-methylpropyl)pyridine;4-bromo-2-(2-methylpropyl)pyridine;5-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylimidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?
The InChIKey is YZNYNICVJUSSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H12BrN.3C9H13N.3C8H10BrN.3C8H11N.C7H12N2.2C7H10N2.C6H10N2.C6H9NO.C6H9NS/c1-7(2)5-9-6-8(10)3-4-11-9;1-7(2)5-9-4-3-8(10)6-11-9;1-7(2)5-8-3-4-11-9(10)6-8;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-8(9)10-5-7;1-6(2)7-4-3-5-8(9)10-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-5-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;3*1-5(2)6-7-3-4-8-6/h3*3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3*3-6H,1-2H3;3*3-7H,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3.
What are the key properties of 2-bromo-4-(2-methylpropyl)pyridine;4-bromo-2-(2-methylpropyl)pyridine;5-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylimidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?
2-bromo-4-(2-methylpropyl)pyridine;4-bromo-2-(2-methylpropyl)pyridine;5-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylimidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole has a molecular weight of 2728.78 g/mol, XLogP of 41.83, 24 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-methylpropyl)pyridine;4-bromo-2-(2-methylpropyl)pyridine;5-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylimidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 162058836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).