2-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile

C16H12BrN3 — CID 82030121

IUPAC2-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCc1ccc(-c2nc3ccc(Br)cn3c2CC#N)cc1
InChIInChI=1S/C16H12BrN3/c1-11-2-4-12(5-3-11)16-14(8-9-18)20-10-13(17)6-7-15(20)19-16/h2-7,10H,8H2,1H3
InChIKeyGVZJOLSDQITGLJ-UHFFFAOYSA-N
MW326.20 g/mol
LogP4.14
Rot. Bonds2

About 2-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile

2-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile (PubChem CID 82030121) has the molecular formula C16H12BrN3 and a molecular weight of 326.20 g/mol. Its IUPAC name is 2-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
PubChem CID82030121
Molecular FormulaC16H12BrN3
Molecular Weight326.20 g/mol
Exact Mass325.02
IUPAC Name2-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCc1ccc(-c2nc3ccc(Br)cn3c2CC#N)cc1
InChIInChI=1S/C16H12BrN3/c1-11-2-4-12(5-3-11)16-14(8-9-18)20-10-13(17)6-7-15(20)19-16/h2-7,10H,8H2,1H3
InChIKeyGVZJOLSDQITGLJ-UHFFFAOYSA-N
XLogP4.14
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 54.14
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-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile (CID 82030121) is 2-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile is Cc1ccc(-c2nc3ccc(Br)cn3c2CC#N)cc1.
What is the InChIKey of 2-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
The InChIKey is GVZJOLSDQITGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3/c1-11-2-4-12(5-3-11)16-14(8-9-18)20-10-13(17)6-7-15(20)19-16/h2-7,10H,8H2,1H3.
What are the key properties of 2-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
2-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile has a molecular weight of 326.20 g/mol, XLogP of 4.14, 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-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile is sourced from PubChem (CID 82030121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).