2-fluoro-4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;2-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole

C139H95F4N19O — CID 157803903

IUPAC2-fluoro-4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;2-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole
SMILESCC1=NC(=CC=C1)C2=C(C=CC=N2)C3=CC4=C(CN=C4)C=C3.COC1=CC=CC(=C1)C2=C(C=CC=N2)C3=CC4=C(CN=C4)C=C3.C1C2=C(C=C(C=C2)C3=C(N=CC=C3)C4=CC=C(C=C4)C#N)C=N1.C1C2=C(C=C(C=C2)C3=C(N=CC=C3)C4=CC=C(C=C4)C(F)(F)F)C=N1.C1C2=C(C=C(C=C2)C3=C(N=CC=C3)C4=CC(=C(C=C4)C#N)F)C=N1.C1C2=C(C=C(C=C2)C3=C(N=CC=C3)C4=CC=CC(=C4)C#N)C=N1.C1C2=C(C=C(C=C2)C3=C(N=CC=C3)C4=CC=CC=C4C#N)C=N1
InChIInChI=1S/C20H13F3N2.C20H12FN3.3C20H13N3.C20H16N2O.C19H15N3/c21-20(22,23)17-7-5-13(6-8-17)19-18(2-1-9-25-19)14-3-4-15-11-24-12-16(15)10-14;21-19-9-14(4-5-15(19)10-22)20-18(2-1-7-24-20)13-3-6-16-11-23-12-17(16)8-13;21-11-14-3-1-4-16(9-14)20-19(5-2-8-23-20)15-6-7-17-12-22-13-18(17)10-15;21-11-14-3-5-15(6-4-14)20-19(2-1-9-23-20)16-7-8-17-12-22-13-18(17)10-16;21-11-15-4-1-2-5-19(15)20-18(6-3-9-23-20)14-7-8-16-12-22-13-17(16)10-14;1-23-18-5-2-4-15(11-18)20-19(6-3-9-22-20)14-7-8-16-12-21-13-17(16)10-14;1-13-4-2-6-18(22-13)19-17(5-3-9-21-19)14-7-8-15-11-20-12-16(15)10-14/h1-10,12H,11H2;1-9,12H,11H2;3*1-10,13H,12H2;2-11,13H,12H2,1H3;2-10,12H,11H2,1H3
InChIKeyDGZMJQNVBQDRLV-UHFFFAOYSA-N
MW2123.40 g/mol
LogP—
Rot. Bonds15

About 2-fluoro-4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;2-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole

2-fluoro-4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;2-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole (PubChem CID 157803903) has the molecular formula C139H95F4N19O and a molecular weight of 2123.40 g/mol. Its IUPAC name is 2-fluoro-4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;2-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole.

Molecular Properties

Compound Name2-fluoro-4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;2-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole
PubChem CID157803903
Molecular FormulaC139H95F4N19O
Molecular Weight2123.40 g/mol
Exact Mass2122.79
IUPAC Name2-fluoro-4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;2-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole
SMILESCC1=NC(=CC=C1)C2=C(C=CC=N2)C3=CC4=C(CN=C4)C=C3.COC1=CC=CC(=C1)C2=C(C=CC=N2)C3=CC4=C(CN=C4)C=C3.C1C2=C(C=C(C=C2)C3=C(N=CC=C3)C4=CC=C(C=C4)C#N)C=N1.C1C2=C(C=C(C=C2)C3=C(N=CC=C3)C4=CC=C(C=C4)C(F)(F)F)C=N1.C1C2=C(C=C(C=C2)C3=C(N=CC=C3)C4=CC(=C(C=C4)C#N)F)C=N1.C1C2=C(C=C(C=C2)C3=C(N=CC=C3)C4=CC=CC(=C4)C#N)C=N1.C1C2=C(C=C(C=C2)C3=C(N=CC=C3)C4=CC=CC=C4C#N)C=N1
InChIInChI=1S/C20H13F3N2.C20H12FN3.3C20H13N3.C20H16N2O.C19H15N3/c21-20(22,23)17-7-5-13(6-8-17)19-18(2-1-9-25-19)14-3-4-15-11-24-12-16(15)10-14;21-19-9-14(4-5-15(19)10-22)20-18(2-1-7-24-20)13-3-6-16-11-23-12-17(16)8-13;21-11-14-3-1-4-16(9-14)20-19(5-2-8-23-20)15-6-7-17-12-22-13-18(17)10-15;21-11-14-3-5-15(6-4-14)20-19(2-1-9-23-20)16-7-8-17-12-22-13-18(17)10-16;21-11-15-4-1-2-5-19(15)20-18(6-3-9-23-20)14-7-8-16-12-22-13-17(16)10-14;1-23-18-5-2-4-15(11-18)20-19(6-3-9-22-20)14-7-8-16-12-21-13-17(16)10-14;1-13-4-2-6-18(22-13)19-17(5-3-9-21-19)14-7-8-15-11-20-12-16(15)10-14/h1-10,12H,11H2;1-9,12H,11H2;3*1-10,13H,12H2;2-11,13H,12H2,1H3;2-10,12H,11H2,1H3
InChIKeyDGZMJQNVBQDRLV-UHFFFAOYSA-N
XLogP—
TPSA294.00 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms163
Complexity3300

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002123.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2-fluoro-4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;2-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;2-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole?
The IUPAC name of 2-fluoro-4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;2-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole (CID 157803903) is 2-fluoro-4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;2-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole.
What is the SMILES notation for 2-fluoro-4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;2-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole?
The canonical SMILES for 2-fluoro-4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;2-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole is CC1=NC(=CC=C1)C2=C(C=CC=N2)C3=CC4=C(CN=C4)C=C3.COC1=CC=CC(=C1)C2=C(C=CC=N2)C3=CC4=C(CN=C4)C=C3.C1C2=C(C=C(C=C2)C3=C(N=CC=C3)C4=CC=C(C=C4)C#N)C=N1.C1C2=C(C=C(C=C2)C3=C(N=CC=C3)C4=CC=C(C=C4)C(F)(F)F)C=N1.C1C2=C(C=C(C=C2)C3=C(N=CC=C3)C4=CC(=C(C=C4)C#N)F)C=N1.C1C2=C(C=C(C=C2)C3=C(N=CC=C3)C4=CC=CC(=C4)C#N)C=N1.C1C2=C(C=C(C=C2)C3=C(N=CC=C3)C4=CC=CC=C4C#N)C=N1.
What is the InChIKey of 2-fluoro-4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;2-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole?
The InChIKey is DGZMJQNVBQDRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2.C20H12FN3.3C20H13N3.C20H16N2O.C19H15N3/c21-20(22,23)17-7-5-13(6-8-17)19-18(2-1-9-25-19)14-3-4-15-11-24-12-16(15)10-14;21-19-9-14(4-5-15(19)10-22)20-18(2-1-7-24-20)13-3-6-16-11-23-12-17(16)8-13;21-11-14-3-1-4-16(9-14)20-19(5-2-8-23-20)15-6-7-17-12-22-13-18(17)10-15;21-11-14-3-5-15(6-4-14)20-19(2-1-9-23-20)16-7-8-17-12-22-13-18(17)10-16;21-11-15-4-1-2-5-19(15)20-18(6-3-9-23-20)14-7-8-16-12-22-13-17(16)10-14;1-23-18-5-2-4-15(11-18)20-19(6-3-9-22-20)14-7-8-16-12-21-13-17(16)10-14;1-13-4-2-6-18(22-13)19-17(5-3-9-21-19)14-7-8-15-11-20-12-16(15)10-14/h1-10,12H,11H2;1-9,12H,11H2;3*1-10,13H,12H2;2-11,13H,12H2,1H3;2-10,12H,11H2,1H3.
What are the key properties of 2-fluoro-4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;2-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole?
2-fluoro-4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;2-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole has a molecular weight of 2123.40 g/mol, XLogP of not available, 15 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;2-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole is sourced from PubChem (CID 157803903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).