3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile

C12H8N3OS+ — CID 4746604

IUPAC3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile
SMILESN#Cc1sc2[nH+]c(-c3ccco3)ccc2c1N
InChIInChI=1S/C12H7N3OS/c13-6-10-11(14)7-3-4-8(15-12(7)17-10)9-2-1-5-16-9/h1-5H,14H2/p+1
InChIKeyWHNQCEPXBPLEMT-UHFFFAOYSA-O
MW242.28 g/mol
LogP2.43
Rot. Bonds1

About 3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile

3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile (PubChem CID 4746604) has the molecular formula C12H8N3OS+ and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile
PubChem CID4746604
Molecular FormulaC12H8N3OS+
Molecular Weight242.28 g/mol
Exact Mass242.04
IUPAC Name3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile
SMILESN#Cc1sc2[nH+]c(-c3ccco3)ccc2c1N
InChIInChI=1S/C12H7N3OS/c13-6-10-11(14)7-3-4-8(15-12(7)17-10)9-2-1-5-16-9/h1-5H,14H2/p+1
InChIKeyWHNQCEPXBPLEMT-UHFFFAOYSA-O
XLogP2.43
TPSA77.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-(furan-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile
CID 4746600
3-amino-5-(furan-2-yl)-4-phenylthiophene-2-carbonitrile
CID 55038271
3-amino-1-benzothiophene-2-carbonitrile
CID 821951
2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carbonitrile
CID 82427290
5-(furan-2-yl)thiophene-2-carbonitrile
CID 57377058
4-amino-6,7-bis(furan-2-yl)-1,3-dioxo-2-benzofuran-5-carbonitrile
CID 3426766
3-amino-7-hydroxy-1-benzothiophene-2-carbonitrile
CID 83817935
2-amino-4-(furan-2-yl)furan-3-carbonitrile
CID 22145328
6-amino-2-(furan-2-yl)pyridine-3-carbonitrile
CID 91097691
3-amino-5-methoxy-1-benzothiophene-2-carbonitrile
CID 83819711
[4-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]cyclohexyl] formate
CID 87301577
2-(furan-2-yl)thieno[2,3-b]pyridin-3-amine
CID 119087007

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile?
The IUPAC name of 3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile (CID 4746604) is 3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile?
The canonical SMILES for 3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile is N#Cc1sc2[nH+]c(-c3ccco3)ccc2c1N.
What is the InChIKey of 3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile?
The InChIKey is WHNQCEPXBPLEMT-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H7N3OS/c13-6-10-11(14)7-3-4-8(15-12(7)17-10)9-2-1-5-16-9/h1-5H,14H2/p+1.
What are the key properties of 3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile?
3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile has a molecular weight of 242.28 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile is sourced from PubChem (CID 4746604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).