2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanenitrile

C13H14BrN3 — CID 82030084

IUPAC2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanenitrile
SMILESCC(C)c1nc2ccc(Br)cn2c1C(C)C#N
InChIInChI=1S/C13H14BrN3/c1-8(2)12-13(9(3)6-15)17-7-10(14)4-5-11(17)16-12/h4-5,7-9H,1-3H3
InChIKeySRSLJODKRSZOHR-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.85
Rot. Bonds2

About 2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanenitrile

2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanenitrile (PubChem CID 82030084) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanenitrile.

Molecular Properties

Compound Name2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanenitrile
PubChem CID82030084
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanenitrile
SMILESCC(C)c1nc2ccc(Br)cn2c1C(C)C#N
InChIInChI=1S/C13H14BrN3/c1-8(2)12-13(9(3)6-15)17-7-10(14)4-5-11(17)16-12/h4-5,7-9H,1-3H3
InChIKeySRSLJODKRSZOHR-UHFFFAOYSA-N
XLogP3.85
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanenitrile?
The IUPAC name of 2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanenitrile (CID 82030084) is 2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanenitrile.
What is the SMILES notation for 2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanenitrile?
The canonical SMILES for 2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanenitrile is CC(C)c1nc2ccc(Br)cn2c1C(C)C#N.
What is the InChIKey of 2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanenitrile?
The InChIKey is SRSLJODKRSZOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-8(2)12-13(9(3)6-15)17-7-10(14)4-5-11(17)16-12/h4-5,7-9H,1-3H3.
What are the key properties of 2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanenitrile?
2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanenitrile has a molecular weight of 292.18 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanenitrile is sourced from PubChem (CID 82030084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).