3-bromo-2-methylimidazo[1,2-a]pyridine;ethane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine

C23H30BBrN4O2 — CID 156652424

IUPAC3-bromo-2-methylimidazo[1,2-a]pyridine;ethane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
SMILESCC.CC1(C)OB(c2cnc3ccccn23)OC1(C)C.Cc1nc2ccccn2c1Br
InChIInChI=1S/C13H17BN2O2.C8H7BrN2.C2H6/c1-12(2)13(3,4)18-14(17-12)10-9-15-11-7-5-6-8-16(10)11;1-6-8(9)11-5-3-2-4-7(11)10-6;1-2/h5-9H,1-4H3;2-5H,1H3;1-2H3
InChIKeyYOJSRWVWBGVWQR-UHFFFAOYSA-N
MW485.24 g/mol
LogP5.06
Rot. Bonds1

About 3-bromo-2-methylimidazo[1,2-a]pyridine;ethane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine

3-bromo-2-methylimidazo[1,2-a]pyridine;ethane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine (PubChem CID 156652424) has the molecular formula C23H30BBrN4O2 and a molecular weight of 485.24 g/mol. Its IUPAC name is 3-bromo-2-methylimidazo[1,2-a]pyridine;ethane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-bromo-2-methylimidazo[1,2-a]pyridine;ethane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
PubChem CID156652424
Molecular FormulaC23H30BBrN4O2
Molecular Weight485.24 g/mol
Exact Mass484.16
IUPAC Name3-bromo-2-methylimidazo[1,2-a]pyridine;ethane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
SMILESCC.CC1(C)OB(c2cnc3ccccn23)OC1(C)C.Cc1nc2ccccn2c1Br
InChIInChI=1S/C13H17BN2O2.C8H7BrN2.C2H6/c1-12(2)13(3,4)18-14(17-12)10-9-15-11-7-5-6-8-16(10)11;1-6-8(9)11-5-3-2-4-7(11)10-6;1-2/h5-9H,1-4H3;2-5H,1H3;1-2H3
InChIKeyYOJSRWVWBGVWQR-UHFFFAOYSA-N
XLogP5.06
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.24
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methylimidazo[1,2-a]pyridine;ethane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-bromo-2-methylimidazo[1,2-a]pyridine;ethane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine (CID 156652424) is 3-bromo-2-methylimidazo[1,2-a]pyridine;ethane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-bromo-2-methylimidazo[1,2-a]pyridine;ethane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-bromo-2-methylimidazo[1,2-a]pyridine;ethane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine is CC.CC1(C)OB(c2cnc3ccccn23)OC1(C)C.Cc1nc2ccccn2c1Br.
What is the InChIKey of 3-bromo-2-methylimidazo[1,2-a]pyridine;ethane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?
The InChIKey is YOJSRWVWBGVWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BN2O2.C8H7BrN2.C2H6/c1-12(2)13(3,4)18-14(17-12)10-9-15-11-7-5-6-8-16(10)11;1-6-8(9)11-5-3-2-4-7(11)10-6;1-2/h5-9H,1-4H3;2-5H,1H3;1-2H3.
What are the key properties of 3-bromo-2-methylimidazo[1,2-a]pyridine;ethane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?
3-bromo-2-methylimidazo[1,2-a]pyridine;ethane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine has a molecular weight of 485.24 g/mol, XLogP of 5.06, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methylimidazo[1,2-a]pyridine;ethane;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 156652424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).