2-amino-4-(furan-2-yl)-6-methyl-5-phenylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid

C19H14F3N3O3 — CID 158826028

IUPAC2-amino-4-(furan-2-yl)-6-methyl-5-phenylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESCc1nc(N)c(C#N)c(-c2ccco2)c1-c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H13N3O.C2HF3O2/c1-11-15(12-6-3-2-4-7-12)16(14-8-5-9-21-14)13(10-18)17(19)20-11;3-2(4,5)1(6)7/h2-9H,1H3,(H2,19,20);(H,6,7)
InChIKeyIWLSKVDKRZJQTD-UHFFFAOYSA-N
MW389.33 g/mol
LogP4.40
Rot. Bonds2

About 2-amino-4-(furan-2-yl)-6-methyl-5-phenylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid

2-amino-4-(furan-2-yl)-6-methyl-5-phenylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 158826028) has the molecular formula C19H14F3N3O3 and a molecular weight of 389.33 g/mol. Its IUPAC name is 2-amino-4-(furan-2-yl)-6-methyl-5-phenylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-4-(furan-2-yl)-6-methyl-5-phenylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
PubChem CID158826028
Molecular FormulaC19H14F3N3O3
Molecular Weight389.33 g/mol
Exact Mass389.10
IUPAC Name2-amino-4-(furan-2-yl)-6-methyl-5-phenylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESCc1nc(N)c(C#N)c(-c2ccco2)c1-c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H13N3O.C2HF3O2/c1-11-15(12-6-3-2-4-7-12)16(14-8-5-9-21-14)13(10-18)17(19)20-11;3-2(4,5)1(6)7/h2-9H,1H3,(H2,19,20);(H,6,7)
InChIKeyIWLSKVDKRZJQTD-UHFFFAOYSA-N
XLogP4.40
TPSA113.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-(furan-2-yl)-4-methylsulfanylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 162311687
2-amino-4-(2-hydroxyphenyl)-6-methyl-5-phenylpyridine-3-carbonitrile
CID 137127538
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
2-amino-4-(furan-2-yl)-6-(8-hydroxynaphthalen-1-yl)pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 159001255
2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4633808
6-amino-3,5-dicyano-4-(furan-2-yl)pyridine-2-selenolate
CID 15326256
2-amino-4-(furan-2-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 28621951
3,6-diamino-5-cyano-4-(furan-2-yl)-N,N-diphenylthieno[2,3-b]pyridine-2-carboxamide
CID 23971415
4-amino-2,6-dimethyl-5-phenylpyridine-3-carbonitrile
CID 69458683
3-amino-1-(furan-2-yl)-9-oxoindeno[2,1-c]pyridine-4-carbonitrile
CID 10108095
2-amino-4-(furan-2-yl)-5-propyl-6-pyridin-3-ylpyridine-3-carbonitrile
CID 56861364

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(furan-2-yl)-6-methyl-5-phenylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-4-(furan-2-yl)-6-methyl-5-phenylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid (CID 158826028) is 2-amino-4-(furan-2-yl)-6-methyl-5-phenylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-4-(furan-2-yl)-6-methyl-5-phenylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-4-(furan-2-yl)-6-methyl-5-phenylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid is Cc1nc(N)c(C#N)c(-c2ccco2)c1-c1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-4-(furan-2-yl)-6-methyl-5-phenylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The InChIKey is IWLSKVDKRZJQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O.C2HF3O2/c1-11-15(12-6-3-2-4-7-12)16(14-8-5-9-21-14)13(10-18)17(19)20-11;3-2(4,5)1(6)7/h2-9H,1H3,(H2,19,20);(H,6,7).
What are the key properties of 2-amino-4-(furan-2-yl)-6-methyl-5-phenylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
2-amino-4-(furan-2-yl)-6-methyl-5-phenylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 389.33 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(furan-2-yl)-6-methyl-5-phenylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158826028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).