3-(3-bromophenyl)-5-fluoro-7-pyridin-4-yl-3H-isoindol-1-amine

C19H13BrFN3 — CID 91090121

IUPAC3-(3-bromophenyl)-5-fluoro-7-pyridin-4-yl-3H-isoindol-1-amine
SMILESNC1=NC(c2cccc(Br)c2)c2cc(F)cc(-c3ccncc3)c21
InChIInChI=1S/C19H13BrFN3/c20-13-3-1-2-12(8-13)18-16-10-14(21)9-15(17(16)19(22)24-18)11-4-6-23-7-5-11/h1-10,18H,(H2,22,24)
InChIKeyBANLEYPZLHEDSE-UHFFFAOYSA-N
MW382.24 g/mol
LogP4.46
Rot. Bonds2

About 3-(3-bromophenyl)-5-fluoro-7-pyridin-4-yl-3H-isoindol-1-amine

3-(3-bromophenyl)-5-fluoro-7-pyridin-4-yl-3H-isoindol-1-amine (PubChem CID 91090121) has the molecular formula C19H13BrFN3 and a molecular weight of 382.24 g/mol. Its IUPAC name is 3-(3-bromophenyl)-5-fluoro-7-pyridin-4-yl-3H-isoindol-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-5-fluoro-7-pyridin-4-yl-3H-isoindol-1-amine
PubChem CID91090121
Molecular FormulaC19H13BrFN3
Molecular Weight382.24 g/mol
Exact Mass381.03
IUPAC Name3-(3-bromophenyl)-5-fluoro-7-pyridin-4-yl-3H-isoindol-1-amine
SMILESNC1=NC(c2cccc(Br)c2)c2cc(F)cc(-c3ccncc3)c21
InChIInChI=1S/C19H13BrFN3/c20-13-3-1-2-12(8-13)18-16-10-14(21)9-15(17(16)19(22)24-18)11-4-6-23-7-5-11/h1-10,18H,(H2,22,24)
InChIKeyBANLEYPZLHEDSE-UHFFFAOYSA-N
XLogP4.46
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Fluoro-1-(3-(5-fluoropyridin-3-yl)phenyl)-1-(pyridin-4-yl)-1H-isoindol-3-amine
CID 46206294
2-(4-Fluorophenyl)-5-methyl-2-(3-pyridin-3-ylphenyl)imidazol-4-amine
CID 49858377
(E)-4-(3-(4-bromostyryl)-5-fluorophenyl)pyridine
CID 121481820
8-bromo-6-[(E)-4-pyridin-3-ylbut-1-enyl]naphthalene-2-carboximidamide
CID 45271235
3-[5,5-Bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]-5-bromopyridine
CID 10223516
3-(5-Bromo-2-fluorophenyl)pyridine
CID 11543355
3-(3-Bromo-5-fluorophenyl) pyridine
CID 19889429
5-[[2,3-Bis(2-fluorophenyl)phenyl]methyl]-2-bromopyridine
CID 21333347
5-[[2,3-Bis(3-fluorophenyl)phenyl]methyl]-2-bromopyridine
CID 21333352
5-[[2,3-Bis(4-fluorophenyl)phenyl]methyl]-2-bromopyridine
CID 21333402
4-(5-Bromo-2-fluorophenyl)-3-fluoropyridine
CID 22285288
4-(5-Bromo-2-fluorophenyl)pyridine
CID 22285319

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-5-fluoro-7-pyridin-4-yl-3H-isoindol-1-amine?
The IUPAC name of 3-(3-bromophenyl)-5-fluoro-7-pyridin-4-yl-3H-isoindol-1-amine (CID 91090121) is 3-(3-bromophenyl)-5-fluoro-7-pyridin-4-yl-3H-isoindol-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-5-fluoro-7-pyridin-4-yl-3H-isoindol-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-5-fluoro-7-pyridin-4-yl-3H-isoindol-1-amine is NC1=NC(c2cccc(Br)c2)c2cc(F)cc(-c3ccncc3)c21.
What is the InChIKey of 3-(3-bromophenyl)-5-fluoro-7-pyridin-4-yl-3H-isoindol-1-amine?
The InChIKey is BANLEYPZLHEDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFN3/c20-13-3-1-2-12(8-13)18-16-10-14(21)9-15(17(16)19(22)24-18)11-4-6-23-7-5-11/h1-10,18H,(H2,22,24).
What are the key properties of 3-(3-bromophenyl)-5-fluoro-7-pyridin-4-yl-3H-isoindol-1-amine?
3-(3-bromophenyl)-5-fluoro-7-pyridin-4-yl-3H-isoindol-1-amine has a molecular weight of 382.24 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-5-fluoro-7-pyridin-4-yl-3H-isoindol-1-amine is sourced from PubChem (CID 91090121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).