4,7-bis(5-bromothiophen-2-yl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonitrile

C14H4Br2N4OS2 — CID 101079793

IUPAC4,7-bis(5-bromothiophen-2-yl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonitrile
SMILESN#Cc1nc(-c2ccc(Br)s2)c2nonc2c1-c1ccc(Br)s1
InChIInChI=1S/C14H4Br2N4OS2/c15-9-3-1-7(22-9)11-6(5-17)18-12(8-2-4-10(16)23-8)14-13(11)19-21-20-14/h1-4H
InChIKeyIYGCOSYBUAYXAW-UHFFFAOYSA-N
MW468.16 g/mol
LogP5.47
Rot. Bonds2

About 4,7-bis(5-bromothiophen-2-yl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonitrile

4,7-bis(5-bromothiophen-2-yl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonitrile (PubChem CID 101079793) has the molecular formula C14H4Br2N4OS2 and a molecular weight of 468.16 g/mol. Its IUPAC name is 4,7-bis(5-bromothiophen-2-yl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonitrile.

Molecular Properties

Compound Name4,7-bis(5-bromothiophen-2-yl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonitrile
PubChem CID101079793
Molecular FormulaC14H4Br2N4OS2
Molecular Weight468.16 g/mol
Exact Mass465.82
IUPAC Name4,7-bis(5-bromothiophen-2-yl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonitrile
SMILESN#Cc1nc(-c2ccc(Br)s2)c2nonc2c1-c1ccc(Br)s1
InChIInChI=1S/C14H4Br2N4OS2/c15-9-3-1-7(22-9)11-6(5-17)18-12(8-2-4-10(16)23-8)14-13(11)19-21-20-14/h1-4H
InChIKeyIYGCOSYBUAYXAW-UHFFFAOYSA-N
XLogP5.47
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.16
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile
CID 83743341
5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline
CID 138493359
5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile
CID 83730176
6-amino-3-bromopyridine-2-carbonitrile
CID 53402956
2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
CID 116854106
3-amino-6-(4-bromophenyl)-5-methylpyrazine-2-carbonitrile
CID 20567070
5-(5-bromothiophen-2-yl)-3-chloro-1,2,4-oxadiazole
CID 112572132
6-(5-bromothiophen-2-yl)-2-(methylamino)pyridine-3-carbonitrile
CID 62198063
6-(4-methylphenyl)-4,7-dithiophen-2-yl-[1,2,5]oxadiazolo[3,4-c]pyridine
CID 101079805
2-(5-bromothiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile
CID 113445205
3-[(5-bromothiophen-2-yl)methylamino]pyrazine-2-carbonitrile
CID 62672701
2-(5-bromothiophen-2-yl)-4,5-dimethyl-1,3-oxazole
CID 58664159

Frequently Asked Questions

What is the IUPAC name of 4,7-bis(5-bromothiophen-2-yl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonitrile?
The IUPAC name of 4,7-bis(5-bromothiophen-2-yl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonitrile (CID 101079793) is 4,7-bis(5-bromothiophen-2-yl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonitrile.
What is the SMILES notation for 4,7-bis(5-bromothiophen-2-yl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonitrile?
The canonical SMILES for 4,7-bis(5-bromothiophen-2-yl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonitrile is N#Cc1nc(-c2ccc(Br)s2)c2nonc2c1-c1ccc(Br)s1.
What is the InChIKey of 4,7-bis(5-bromothiophen-2-yl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonitrile?
The InChIKey is IYGCOSYBUAYXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4Br2N4OS2/c15-9-3-1-7(22-9)11-6(5-17)18-12(8-2-4-10(16)23-8)14-13(11)19-21-20-14/h1-4H.
What are the key properties of 4,7-bis(5-bromothiophen-2-yl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonitrile?
4,7-bis(5-bromothiophen-2-yl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonitrile has a molecular weight of 468.16 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(5-bromothiophen-2-yl)-[1,2,5]oxadiazolo[3,4-c]pyridine-6-carbonitrile is sourced from PubChem (CID 101079793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).