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-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole

C119H79F4N17 — CID 158326137

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-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole
SMILESCc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)n1.FC(F)(F)c1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1.N#Cc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1.N#Cc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1F.N#Cc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1.N#Cc1ccccc1-c1ncccc1-c1ccc2c(c1)C=NC2
InChIInChI=1S/C20H13F3N2.C20H12FN3.3C20H13N3.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;1-13-4-2-6-18(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;2-10,12H,11H2,1H3
InChIKeyGPKVFHVHLPFXHH-UHFFFAOYSA-N
MW1823.05 g/mol
LogP26.44
Rot. Bonds12

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-(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-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole (PubChem CID 158326137) has the molecular formula C119H79F4N17 and a molecular weight of 1823.05 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-(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-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole
PubChem CID158326137
Molecular FormulaC119H79F4N17
Molecular Weight1823.05 g/mol
Exact Mass1821.66
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-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole
SMILESCc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)n1.FC(F)(F)c1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1.N#Cc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1.N#Cc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1F.N#Cc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1.N#Cc1ccccc1-c1ncccc1-c1ccc2c(c1)C=NC2
InChIInChI=1S/C20H13F3N2.C20H12FN3.3C20H13N3.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;1-13-4-2-6-18(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;2-10,12H,11H2,1H3
InChIKeyGPKVFHVHLPFXHH-UHFFFAOYSA-N
XLogP26.44
TPSA259.55 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001823.05
LogP ≤ 526.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

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-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole with MolForge

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Related Compounds

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6,6',6'',6'''-([1,1':3',1'':3'',1'''-Quaterphenyl]-2,2',2'',2'''-tetrayl)tetrakis(3-fluoropyridine)
CID 155908938
4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium(3+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 166444863
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CID 22184120
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2-[3,5-Bis[5-(2,6-difluoro-3-pyridinyl)pyrazin-2-yl]-2,4,6-trimethylphenyl]-5-(2-fluoro-6-methyl-3-pyridinyl)pyrazine
CID 57832214
2-[2,5-Difluoro-3,4,6-tris(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine
CID 58090489
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CID 59037198
2-[2-(2-Methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine
CID 59609356
2-[6-[2,5-Diphenyl-4-(6-pyridin-2-ylpyridin-2-yl)phenyl]pyridin-2-yl]-3-(trifluoromethyl)pyridine
CID 59609364
2-[6-[2,5-Bis(2-methylphenyl)-4-(6-pyridin-2-ylpyridin-2-yl)phenyl]pyridin-2-yl]-3-(trifluoromethyl)pyridine
CID 59609372
2-[2-(2-Methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine
CID 59609373

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-(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-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole (CID 158326137) 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-(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-(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-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole is Cc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)n1.FC(F)(F)c1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1.N#Cc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1.N#Cc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1F.N#Cc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1.N#Cc1ccccc1-c1ncccc1-c1ccc2c(c1)C=NC2.
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-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole?
The InChIKey is GPKVFHVHLPFXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2.C20H12FN3.3C20H13N3.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;1-13-4-2-6-18(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;2-10,12H,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-(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-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole has a molecular weight of 1823.05 g/mol, XLogP of 26.44, 12 rotatable bonds, 0 hydrogen bond donors, and 17 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-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole is sourced from PubChem (CID 158326137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).