2-amino-6-(furan-2-yl)-4-methylsulfanylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid

C13H10F3N3O3S — CID 162311687

IUPAC2-amino-6-(furan-2-yl)-4-methylsulfanylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESCSc1cc(-c2ccco2)nc(N)c1C#N.O=C(O)C(F)(F)F
InChIInChI=1S/C11H9N3OS.C2HF3O2/c1-16-10-5-8(9-3-2-4-15-9)14-11(13)7(10)6-12;3-2(4,5)1(6)7/h2-5H,1H3,(H2,13,14);(H,6,7)
InChIKeyJPNGUJYCAQGKMZ-UHFFFAOYSA-N
MW345.30 g/mol
LogP3.15
Rot. Bonds2

About 2-amino-6-(furan-2-yl)-4-methylsulfanylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid

2-amino-6-(furan-2-yl)-4-methylsulfanylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 162311687) has the molecular formula C13H10F3N3O3S and a molecular weight of 345.30 g/mol. Its IUPAC name is 2-amino-6-(furan-2-yl)-4-methylsulfanylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-6-(furan-2-yl)-4-methylsulfanylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
PubChem CID162311687
Molecular FormulaC13H10F3N3O3S
Molecular Weight345.30 g/mol
Exact Mass345.04
IUPAC Name2-amino-6-(furan-2-yl)-4-methylsulfanylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESCSc1cc(-c2ccco2)nc(N)c1C#N.O=C(O)C(F)(F)F
InChIInChI=1S/C11H9N3OS.C2HF3O2/c1-16-10-5-8(9-3-2-4-15-9)14-11(13)7(10)6-12;3-2(4,5)1(6)7/h2-5H,1H3,(H2,13,14);(H,6,7)
InChIKeyJPNGUJYCAQGKMZ-UHFFFAOYSA-N
XLogP3.15
TPSA113.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 158826028
2-amino-4-(2-fluorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile
CID 10039244
2-amino-4-(4-fluorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile
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4-[2-amino-3-(aminomethyl)-6-(furan-2-yl)-4-pyridinyl]benzoic acid;2,2,2-trifluoroacetic acid
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methyl 3-[2-amino-3-cyano-6-(furan-2-yl)-4-pyridinyl]benzoate
CID 56752371
2-amino-4-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
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2-amino-6-(furan-2-yl)-4-naphthalen-2-ylpyridine-3-carbonitrile
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2-amino-4-(furan-2-yl)-5,6-dihydro-1,8-phenanthroline-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
CID 87964985
2-amino-4-(furan-2-yl)-6,7-dihydro-5H-pyrazolo[5,4-h]quinoline-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
CID 87964801
4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine
CID 18507652
2-amino-6-(2,4-dimethylphenyl)-4-(furan-2-yl)pyridine-3-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(furan-2-yl)-4-methylsulfanylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-6-(furan-2-yl)-4-methylsulfanylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid (CID 162311687) is 2-amino-6-(furan-2-yl)-4-methylsulfanylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-6-(furan-2-yl)-4-methylsulfanylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-6-(furan-2-yl)-4-methylsulfanylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid is CSc1cc(-c2ccco2)nc(N)c1C#N.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-6-(furan-2-yl)-4-methylsulfanylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The InChIKey is JPNGUJYCAQGKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS.C2HF3O2/c1-16-10-5-8(9-3-2-4-15-9)14-11(13)7(10)6-12;3-2(4,5)1(6)7/h2-5H,1H3,(H2,13,14);(H,6,7).
What are the key properties of 2-amino-6-(furan-2-yl)-4-methylsulfanylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
2-amino-6-(furan-2-yl)-4-methylsulfanylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 345.30 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(furan-2-yl)-4-methylsulfanylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162311687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).