3-amino-6-(furan-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile

C13H7F3N3OS+ — CID 4746600

IUPAC3-amino-6-(furan-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile
SMILESN#Cc1sc2[nH+]c(-c3ccco3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C13H6F3N3OS/c14-13(15,16)6-4-7(8-2-1-3-20-8)19-12-10(6)11(18)9(5-17)21-12/h1-4H,18H2/p+1
InChIKeyKDHOFEIUNICYBU-UHFFFAOYSA-O
MW310.28 g/mol
LogP3.45
Rot. Bonds1

About 3-amino-6-(furan-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile

3-amino-6-(furan-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile (PubChem CID 4746600) has the molecular formula C13H7F3N3OS+ and a molecular weight of 310.28 g/mol. Its IUPAC name is 3-amino-6-(furan-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(furan-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile
PubChem CID4746600
Molecular FormulaC13H7F3N3OS+
Molecular Weight310.28 g/mol
Exact Mass310.03
IUPAC Name3-amino-6-(furan-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile
SMILESN#Cc1sc2[nH+]c(-c3ccco3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C13H6F3N3OS/c14-13(15,16)6-4-7(8-2-1-3-20-8)19-12-10(6)11(18)9(5-17)21-12/h1-4H,18H2/p+1
InChIKeyKDHOFEIUNICYBU-UHFFFAOYSA-O
XLogP3.45
TPSA77.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile
CID 4746604
3-amino-5-(furan-2-yl)-4-phenylthiophene-2-carbonitrile
CID 55038271
3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile
CID 629766
methyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate
CID 3341332
2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carbonitrile
CID 82427290
2-amino-4-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 10449235
2-amino-5-[3,5-bis(trifluoromethyl)phenyl]-6-(furan-2-yl)pyridine-3-carbonitrile
CID 22707974
5-(furan-2-yl)thiophene-2-carbonitrile
CID 57377058
11-(furan-2-yl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 54697678
2-[5-fluoro-2-iodo-3-(trifluoromethyl)phenyl]furan
CID 168526828
2-[3-fluoro-4-methyl-5-(trifluoromethyl)phenyl]furan
CID 168528675
4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-2-(furan-2-yl)pyrimidin-5-amine
CID 24891223

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(furan-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile?
The IUPAC name of 3-amino-6-(furan-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile (CID 4746600) is 3-amino-6-(furan-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(furan-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile?
The canonical SMILES for 3-amino-6-(furan-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile is N#Cc1sc2[nH+]c(-c3ccco3)cc(C(F)(F)F)c2c1N.
What is the InChIKey of 3-amino-6-(furan-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile?
The InChIKey is KDHOFEIUNICYBU-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H6F3N3OS/c14-13(15,16)6-4-7(8-2-1-3-20-8)19-12-10(6)11(18)9(5-17)21-12/h1-4H,18H2/p+1.
What are the key properties of 3-amino-6-(furan-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile?
3-amino-6-(furan-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile has a molecular weight of 310.28 g/mol, XLogP of 3.45, 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)-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile is sourced from PubChem (CID 4746600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).