[2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylaniline;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline

C102H81F5N12O2 — CID 157359893

About [2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylaniline;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline

[2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylaniline;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline (PubChem CID 157359893) has the molecular formula C102H81F5N12O2 and a molecular weight of 1601.84 g/mol. Its IUPAC name is [2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylaniline;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline.

Molecular Properties

• Compound Name: [2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylaniline;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline
• PubChem CID: 157359893
• Molecular Formula: C102H81F5N12O2
• Molecular Weight: 1601.84 g/mol
• Exact Mass: 1600.65
• IUPAC Name: [2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylaniline;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline
• SMILES: Cc1cc(-c2ncccc2-c2ccc3c(c2)C=NC3)ccc1N.Cc1cc(-c2ncccc2-c2ccc3c(c2)C=NC3)ccc1N(C)C.Fc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1C(F)(F)F.OCc1cc(-c2ncccc2-c2ccc3c(c2)C=NC3)ccc1F.OCc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1
• InChI: InChI=1S/C22H21N3.C20H12F4N2.C20H15FN2O.C20H17N3.C20H16N2O/c1-15-11-17(8-9-21(15)25(2)3)22-20(5-4-10-24-22)16-6-7-18-13-23-14-19(18)12-16;21-18-6-5-13(9-17(18)20(22,23)24)19-16(2-1-7-26-19)12-3-4-14-10-25-11-15(14)8-12;21-19-6-5-14(9-17(19)12-24)20-18(2-1-7-23-20)13-3-4-15-10-22-11-16(15)8-13;1-13-9-15(6-7-19(13)21)20-18(3-2-8-23-20)14-4-5-16-11-22-12-17(16)10-14;23-13-14-3-1-4-16(9-14)20-19(5-2-8-22-20)15-6-7-17-11-21-12-18(17)10-15/h4-12,14H,13H2,1-3H3;1-9,11H,10H2;1-9,11,24H,10,12H2;2-10,12H,11,21H2,1H3;1-10,12,23H,11,13H2
• InChIKey: BIMYUDKDJHUVCC-UHFFFAOYSA-N
• XLogP: 22.29
• TPSA: 195.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1601.84
LogP ≤ 5	22.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylaniline;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline?

The IUPAC name of [2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylaniline;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline (CID 157359893) is [2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylaniline;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline.

What is the SMILES notation for [2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylaniline;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline?

The canonical SMILES for [2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylaniline;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline is Cc1cc(-c2ncccc2-c2ccc3c(c2)C=NC3)ccc1N.Cc1cc(-c2ncccc2-c2ccc3c(c2)C=NC3)ccc1N(C)C.Fc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1C(F)(F)F.OCc1cc(-c2ncccc2-c2ccc3c(c2)C=NC3)ccc1F.OCc1cccc(-c2ncccc2-c2ccc3c(c2)C=NC3)c1.

What is the InChIKey of [2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylaniline;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline?

The InChIKey is BIMYUDKDJHUVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3.C20H12F4N2.C20H15FN2O.C20H17N3.C20H16N2O/c1-15-11-17(8-9-21(15)25(2)3)22-20(5-4-10-24-22)16-6-7-18-13-23-14-19(18)12-16;21-18-6-5-13(9-17(18)20(22,23)24)19-16(2-1-7-26-19)12-3-4-14-10-25-11-15(14)8-12;21-19-6-5-14(9-17(19)12-24)20-18(2-1-7-23-20)13-3-4-15-10-22-11-16(15)8-13;1-13-9-15(6-7-19(13)21)20-18(3-2-8-23-20)14-4-5-16-11-22-12-17(16)10-14;23-13-14-3-1-4-16(9-14)20-19(5-2-8-22-20)15-6-7-17-11-21-12-18(17)10-15/h4-12,14H,13H2,1-3H3;1-9,11H,10H2;1-9,11,24H,10,12H2;2-10,12H,11,21H2,1H3;1-10,12,23H,11,13H2.

What are the key properties of [2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylaniline;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline?

[2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylaniline;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline has a molecular weight of 1601.84 g/mol, XLogP of 22.29, 13 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-2-methylaniline;[3-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenyl]methanol;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline is sourced from PubChem (CID 157359893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).