4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)oxybenzonitrile

C13H7BrN4O — CID 79955212

IUPAC4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)oxybenzonitrile
SMILESN#Cc1ccc(Oc2nc(Br)cn3ccnc23)cc1
InChIInChI=1S/C13H7BrN4O/c14-11-8-18-6-5-16-12(18)13(17-11)19-10-3-1-9(7-15)2-4-10/h1-6,8H
InChIKeyZMRJFVOWBIVHCD-UHFFFAOYSA-N
MW315.13 g/mol
LogP3.16
Rot. Bonds2

About 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)oxybenzonitrile

4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)oxybenzonitrile (PubChem CID 79955212) has the molecular formula C13H7BrN4O and a molecular weight of 315.13 g/mol. Its IUPAC name is 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)oxybenzonitrile.

Molecular Properties

Compound Name4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)oxybenzonitrile
PubChem CID79955212
Molecular FormulaC13H7BrN4O
Molecular Weight315.13 g/mol
Exact Mass313.98
IUPAC Name4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)oxybenzonitrile
SMILESN#Cc1ccc(Oc2nc(Br)cn3ccnc23)cc1
InChIInChI=1S/C13H7BrN4O/c14-11-8-18-6-5-16-12(18)13(17-11)19-10-3-1-9(7-15)2-4-10/h1-6,8H
InChIKeyZMRJFVOWBIVHCD-UHFFFAOYSA-N
XLogP3.16
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.13
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)oxybenzonitrile?
The IUPAC name of 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)oxybenzonitrile (CID 79955212) is 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)oxybenzonitrile.
What is the SMILES notation for 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)oxybenzonitrile?
The canonical SMILES for 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)oxybenzonitrile is N#Cc1ccc(Oc2nc(Br)cn3ccnc23)cc1.
What is the InChIKey of 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)oxybenzonitrile?
The InChIKey is ZMRJFVOWBIVHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrN4O/c14-11-8-18-6-5-16-12(18)13(17-11)19-10-3-1-9(7-15)2-4-10/h1-6,8H.
What are the key properties of 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)oxybenzonitrile?
4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)oxybenzonitrile has a molecular weight of 315.13 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)oxybenzonitrile is sourced from PubChem (CID 79955212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).