2-amino-4-(furan-2-yl)-6-(8-hydroxynaphthalen-1-yl)pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid

C22H14F3N3O4 — CID 159001255

IUPAC2-amino-4-(furan-2-yl)-6-(8-hydroxynaphthalen-1-yl)pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESN#Cc1c(-c2ccco2)cc(-c2cccc3cccc(O)c23)nc1N.O=C(O)C(F)(F)F
InChIInChI=1S/C20H13N3O2.C2HF3O2/c21-11-15-14(18-8-3-9-25-18)10-16(23-20(15)22)13-6-1-4-12-5-2-7-17(24)19(12)13;3-2(4,5)1(6)7/h1-10,24H,(H2,22,23);(H,6,7)
InChIKeyJRIXYSNDJZDLKB-UHFFFAOYSA-N
MW441.37 g/mol
LogP4.95
Rot. Bonds2

About 2-amino-4-(furan-2-yl)-6-(8-hydroxynaphthalen-1-yl)pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid

2-amino-4-(furan-2-yl)-6-(8-hydroxynaphthalen-1-yl)pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 159001255) has the molecular formula C22H14F3N3O4 and a molecular weight of 441.37 g/mol. Its IUPAC name is 2-amino-4-(furan-2-yl)-6-(8-hydroxynaphthalen-1-yl)pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-4-(furan-2-yl)-6-(8-hydroxynaphthalen-1-yl)pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
PubChem CID159001255
Molecular FormulaC22H14F3N3O4
Molecular Weight441.37 g/mol
Exact Mass441.09
IUPAC Name2-amino-4-(furan-2-yl)-6-(8-hydroxynaphthalen-1-yl)pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESN#Cc1c(-c2ccco2)cc(-c2cccc3cccc(O)c23)nc1N.O=C(O)C(F)(F)F
InChIInChI=1S/C20H13N3O2.C2HF3O2/c21-11-15-14(18-8-3-9-25-18)10-16(23-20(15)22)13-6-1-4-12-5-2-7-17(24)19(12)13;3-2(4,5)1(6)7/h1-10,24H,(H2,22,23);(H,6,7)
InChIKeyJRIXYSNDJZDLKB-UHFFFAOYSA-N
XLogP4.95
TPSA133.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.37
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 10449235
2-amino-4-(furan-2-yl)-6-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 5153770
2-amino-6-(2,4-dimethylphenyl)-4-(furan-2-yl)pyridine-3-carbonitrile
CID 3480329
2-amino-4-(furan-2-yl)-6-methyl-5-phenylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 158826028
2-amino-4-(2-fluorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile
CID 10039244
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-(4-fluorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile
CID 10446308
2-amino-6-(furan-2-yl)-4-naphthalen-2-ylpyridine-3-carbonitrile
CID 166594868
methyl 3-[2-amino-3-cyano-6-(furan-2-yl)-4-pyridinyl]benzoate
CID 56752371
2-amino-4-(furan-2-yl)-5,6-dihydro-1,8-phenanthroline-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
CID 87964985
2-amino-6-(3-fluorophenyl)-4-[2-(furan-2-yl)pyrimidin-5-yl]pyridine-3-carbonitrile
CID 56754818

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(furan-2-yl)-6-(8-hydroxynaphthalen-1-yl)pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-4-(furan-2-yl)-6-(8-hydroxynaphthalen-1-yl)pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid (CID 159001255) is 2-amino-4-(furan-2-yl)-6-(8-hydroxynaphthalen-1-yl)pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-4-(furan-2-yl)-6-(8-hydroxynaphthalen-1-yl)pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-4-(furan-2-yl)-6-(8-hydroxynaphthalen-1-yl)pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid is N#Cc1c(-c2ccco2)cc(-c2cccc3cccc(O)c23)nc1N.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-4-(furan-2-yl)-6-(8-hydroxynaphthalen-1-yl)pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The InChIKey is JRIXYSNDJZDLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O2.C2HF3O2/c21-11-15-14(18-8-3-9-25-18)10-16(23-20(15)22)13-6-1-4-12-5-2-7-17(24)19(12)13;3-2(4,5)1(6)7/h1-10,24H,(H2,22,23);(H,6,7).
What are the key properties of 2-amino-4-(furan-2-yl)-6-(8-hydroxynaphthalen-1-yl)pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
2-amino-4-(furan-2-yl)-6-(8-hydroxynaphthalen-1-yl)pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 441.37 g/mol, XLogP of 4.95, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(furan-2-yl)-6-(8-hydroxynaphthalen-1-yl)pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 159001255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).