3-(3-amino-6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile

C15H11BrN4 — CID 79730248

IUPAC3-(3-amino-6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
SMILESCc1cc2nc(-c3cccc(C#N)c3)c(N)n2cc1Br
InChIInChI=1S/C15H11BrN4/c1-9-5-13-19-14(15(18)20(13)8-12(9)16)11-4-2-3-10(6-11)7-17/h2-6,8H,18H2,1H3
InChIKeyQEUMCRAKDOOPPU-UHFFFAOYSA-N
MW327.19 g/mol
LogP3.53
Rot. Bonds1

About 3-(3-amino-6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile

3-(3-amino-6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile (PubChem CID 79730248) has the molecular formula C15H11BrN4 and a molecular weight of 327.19 g/mol. Its IUPAC name is 3-(3-amino-6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile.

Molecular Properties

Compound Name3-(3-amino-6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
PubChem CID79730248
Molecular FormulaC15H11BrN4
Molecular Weight327.19 g/mol
Exact Mass326.02
IUPAC Name3-(3-amino-6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
SMILESCc1cc2nc(-c3cccc(C#N)c3)c(N)n2cc1Br
InChIInChI=1S/C15H11BrN4/c1-9-5-13-19-14(15(18)20(13)8-12(9)16)11-4-2-3-10(6-11)7-17/h2-6,8H,18H2,1H3
InChIKeyQEUMCRAKDOOPPU-UHFFFAOYSA-N
XLogP3.53
TPSA67.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile?
The IUPAC name of 3-(3-amino-6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile (CID 79730248) is 3-(3-amino-6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile.
What is the SMILES notation for 3-(3-amino-6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile?
The canonical SMILES for 3-(3-amino-6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile is Cc1cc2nc(-c3cccc(C#N)c3)c(N)n2cc1Br.
What is the InChIKey of 3-(3-amino-6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile?
The InChIKey is QEUMCRAKDOOPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4/c1-9-5-13-19-14(15(18)20(13)8-12(9)16)11-4-2-3-10(6-11)7-17/h2-6,8H,18H2,1H3.
What are the key properties of 3-(3-amino-6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile?
3-(3-amino-6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile has a molecular weight of 327.19 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile is sourced from PubChem (CID 79730248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).