5-bromo-2,3-dimethoxypyridine;2,3-dimethoxypyridine;3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine;2,3-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C41H50BBrN6O10 — CID 158952960

IUPAC5-bromo-2,3-dimethoxypyridine;2,3-dimethoxypyridine;3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine;2,3-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCOc1cc(-c2cnc3ccccn23)cnc1OC.COc1cc(B2OC(C)(C)C(C)(C)O2)cnc1OC.COc1cc(Br)cnc1OC.COc1cccnc1OC
InChIInChI=1S/C14H13N3O2.C13H20BNO4.C7H8BrNO2.C7H9NO2/c1-18-12-7-10(8-16-14(12)19-2)11-9-15-13-5-3-4-6-17(11)13;1-12(2)13(3,4)19-14(18-12)9-7-10(16-5)11(17-6)15-8-9;1-10-6-3-5(8)4-9-7(6)11-2;1-9-6-4-3-5-8-7(6)10-2/h3-9H,1-2H3;7-8H,1-6H3;3-4H,1-2H3;3-5H,1-2H3
InChIKeyJLQVGEAKYANGMF-UHFFFAOYSA-N
MW877.60 g/mol
LogP6.77
Rot. Bonds10

About 5-bromo-2,3-dimethoxypyridine;2,3-dimethoxypyridine;3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine;2,3-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

5-bromo-2,3-dimethoxypyridine;2,3-dimethoxypyridine;3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine;2,3-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 158952960) has the molecular formula C41H50BBrN6O10 and a molecular weight of 877.60 g/mol. Its IUPAC name is 5-bromo-2,3-dimethoxypyridine;2,3-dimethoxypyridine;3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine;2,3-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2,3-dimethoxypyridine;2,3-dimethoxypyridine;3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine;2,3-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID158952960
Molecular FormulaC41H50BBrN6O10
Molecular Weight877.60 g/mol
Exact Mass876.29
IUPAC Name5-bromo-2,3-dimethoxypyridine;2,3-dimethoxypyridine;3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine;2,3-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCOc1cc(-c2cnc3ccccn23)cnc1OC.COc1cc(B2OC(C)(C)C(C)(C)O2)cnc1OC.COc1cc(Br)cnc1OC.COc1cccnc1OC
InChIInChI=1S/C14H13N3O2.C13H20BNO4.C7H8BrNO2.C7H9NO2/c1-18-12-7-10(8-16-14(12)19-2)11-9-15-13-5-3-4-6-17(11)13;1-12(2)13(3,4)19-14(18-12)9-7-10(16-5)11(17-6)15-8-9;1-10-6-3-5(8)4-9-7(6)11-2;1-9-6-4-3-5-8-7(6)10-2/h3-9H,1-2H3;7-8H,1-6H3;3-4H,1-2H3;3-5H,1-2H3
InChIKeyJLQVGEAKYANGMF-UHFFFAOYSA-N
XLogP6.77
TPSA161.16 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500877.60
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-bromo-2,3-dimethoxypyridine;2,3-dimethoxypyridine;3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine;2,3-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine with MolForge

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Related Compounds

6-Bromo-3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 46913420
3-(5,6-Dimethoxy-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-a]pyridine
CID 46913421
3-(5,6-Dimethoxy-3-pyridinyl)-6-(4-morpholinyl)imidazo[1,2-a]pyridine
CID 46913522
3-(5,6-Dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 46913419
[5-[[2-(4-Bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-2-pyridinyl)methanol
CID 134203690
3-bromo-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine
CID 155479135
4-[6-(Imidazo[1,2-a]pyridin-7-ylmethyl)-2-[(5-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]morpholine
CID 157172536
8-Bromo-6-phenylimidazo[1,2-b]pyridazine;5,6-dimethoxypyridin-2-amine;8-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-phenylimidazo[1,2-b]pyridazine
CID 158284371
2-[6-(Dimethylamino)-3-pyridinyl]imidazo[1,2-a]pyridin-6-ol;2-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-6-ol
CID 159077705
CID 159146749
CID 159146749
2-Methoxy-3-(4-methoxybutyl)pyridine;3-methoxy-4-(4-methoxybutyl)pyridine;2-methoxy-3-(3-methoxypropoxy)pyridine;3-methoxy-4-(3-methoxypropoxy)pyridine;3-(3-methoxypropyl)imidazo[1,2-a]pyrimidine
CID 159346204
1-[(4-bromophenyl)methyl]-4-methylpiperazine;1-[(4-methoxyphenyl)methyl]-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine
CID 159449810

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dimethoxypyridine;2,3-dimethoxypyridine;3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine;2,3-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 5-bromo-2,3-dimethoxypyridine;2,3-dimethoxypyridine;3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine;2,3-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 158952960) is 5-bromo-2,3-dimethoxypyridine;2,3-dimethoxypyridine;3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine;2,3-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 5-bromo-2,3-dimethoxypyridine;2,3-dimethoxypyridine;3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine;2,3-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 5-bromo-2,3-dimethoxypyridine;2,3-dimethoxypyridine;3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine;2,3-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is COc1cc(-c2cnc3ccccn23)cnc1OC.COc1cc(B2OC(C)(C)C(C)(C)O2)cnc1OC.COc1cc(Br)cnc1OC.COc1cccnc1OC.
What is the InChIKey of 5-bromo-2,3-dimethoxypyridine;2,3-dimethoxypyridine;3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine;2,3-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is JLQVGEAKYANGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2.C13H20BNO4.C7H8BrNO2.C7H9NO2/c1-18-12-7-10(8-16-14(12)19-2)11-9-15-13-5-3-4-6-17(11)13;1-12(2)13(3,4)19-14(18-12)9-7-10(16-5)11(17-6)15-8-9;1-10-6-3-5(8)4-9-7(6)11-2;1-9-6-4-3-5-8-7(6)10-2/h3-9H,1-2H3;7-8H,1-6H3;3-4H,1-2H3;3-5H,1-2H3.
What are the key properties of 5-bromo-2,3-dimethoxypyridine;2,3-dimethoxypyridine;3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine;2,3-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
5-bromo-2,3-dimethoxypyridine;2,3-dimethoxypyridine;3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine;2,3-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 877.60 g/mol, XLogP of 6.77, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dimethoxypyridine;2,3-dimethoxypyridine;3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridine;2,3-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 158952960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).