2-amino-4-(3-hydroxyphenyl)-6-(2,4,5-trifluorophenyl)pyridine-3-carbonitrile

C18H10F3N3O — CID 56876036

IUPAC2-amino-4-(3-hydroxyphenyl)-6-(2,4,5-trifluorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc(O)c2)cc(-c2cc(F)c(F)cc2F)nc1N
InChIInChI=1S/C18H10F3N3O/c19-14-7-16(21)15(20)5-12(14)17-6-11(13(8-22)18(23)24-17)9-2-1-3-10(25)4-9/h1-7,25H,(H2,23,24)
InChIKeyOVYWAPPVVCZEKX-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.99
Rot. Bonds2

About 2-amino-4-(3-hydroxyphenyl)-6-(2,4,5-trifluorophenyl)pyridine-3-carbonitrile

2-amino-4-(3-hydroxyphenyl)-6-(2,4,5-trifluorophenyl)pyridine-3-carbonitrile (PubChem CID 56876036) has the molecular formula C18H10F3N3O and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-amino-4-(3-hydroxyphenyl)-6-(2,4,5-trifluorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-hydroxyphenyl)-6-(2,4,5-trifluorophenyl)pyridine-3-carbonitrile
PubChem CID56876036
Molecular FormulaC18H10F3N3O
Molecular Weight341.29 g/mol
Exact Mass341.08
IUPAC Name2-amino-4-(3-hydroxyphenyl)-6-(2,4,5-trifluorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc(O)c2)cc(-c2cc(F)c(F)cc2F)nc1N
InChIInChI=1S/C18H10F3N3O/c19-14-7-16(21)15(20)5-12(14)17-6-11(13(8-22)18(23)24-17)9-2-1-3-10(25)4-9/h1-7,25H,(H2,23,24)
InChIKeyOVYWAPPVVCZEKX-UHFFFAOYSA-N
XLogP3.99
TPSA82.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-(2-fluorophenyl)-4-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5119728
2-amino-4-(3-fluorophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230179
2-amino-4-(3-hydroxyphenyl)-6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-3-carbonitrile
CID 56879979
2-amino-6-(4-aminophenyl)-4-(3,4-dihydroxyphenyl)pyridine-3-carbonitrile
CID 177295527
2-amino-6-(2-fluorophenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119022
2-amino-4-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile
CID 4632780
2-amino-6-(3,4-dichlorophenyl)-4-(3,4-difluorophenyl)pyridine-3-carbonitrile
CID 3529546
2-amino-6-(3-fluorophenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5118241
2-amino-4-[3-(4-chlorophenyl)phenyl]-6-phenylpyridine-3-carbonitrile
CID 139222472
2-amino-4-(2-fluorophenyl)-6-(3-fluorophenyl)pyridine-3-carbonitrile
CID 5118076
2-amino-4-(3-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3369926
2-amino-6-(3-hydroxyphenyl)-4-(1H-imidazol-5-yl)pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid
CID 162190554

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-hydroxyphenyl)-6-(2,4,5-trifluorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-hydroxyphenyl)-6-(2,4,5-trifluorophenyl)pyridine-3-carbonitrile (CID 56876036) is 2-amino-4-(3-hydroxyphenyl)-6-(2,4,5-trifluorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-hydroxyphenyl)-6-(2,4,5-trifluorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-hydroxyphenyl)-6-(2,4,5-trifluorophenyl)pyridine-3-carbonitrile is N#Cc1c(-c2cccc(O)c2)cc(-c2cc(F)c(F)cc2F)nc1N.
What is the InChIKey of 2-amino-4-(3-hydroxyphenyl)-6-(2,4,5-trifluorophenyl)pyridine-3-carbonitrile?
The InChIKey is OVYWAPPVVCZEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N3O/c19-14-7-16(21)15(20)5-12(14)17-6-11(13(8-22)18(23)24-17)9-2-1-3-10(25)4-9/h1-7,25H,(H2,23,24).
What are the key properties of 2-amino-4-(3-hydroxyphenyl)-6-(2,4,5-trifluorophenyl)pyridine-3-carbonitrile?
2-amino-4-(3-hydroxyphenyl)-6-(2,4,5-trifluorophenyl)pyridine-3-carbonitrile has a molecular weight of 341.29 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-hydroxyphenyl)-6-(2,4,5-trifluorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 56876036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).