3-(3-bromo-4-fluorophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine

C19H12BrF2N3 — CID 58579477

IUPAC3-(3-bromo-4-fluorophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine
SMILESNC1=NC(c2ccncc2)(c2ccc(F)c(Br)c2)c2cccc(F)c21
InChIInChI=1S/C19H12BrF2N3/c20-14-10-12(4-5-15(14)21)19(11-6-8-24-9-7-11)13-2-1-3-16(22)17(13)18(23)25-19/h1-10H,(H2,23,25)
InChIKeyQFXWZQKMTDYQHX-UHFFFAOYSA-N
MW400.23 g/mol
LogP4.13
Rot. Bonds2

About 3-(3-bromo-4-fluorophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine

3-(3-bromo-4-fluorophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine (PubChem CID 58579477) has the molecular formula C19H12BrF2N3 and a molecular weight of 400.23 g/mol. Its IUPAC name is 3-(3-bromo-4-fluorophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine.

Molecular Properties

Compound Name3-(3-bromo-4-fluorophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine
PubChem CID58579477
Molecular FormulaC19H12BrF2N3
Molecular Weight400.23 g/mol
Exact Mass399.02
IUPAC Name3-(3-bromo-4-fluorophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine
SMILESNC1=NC(c2ccncc2)(c2ccc(F)c(Br)c2)c2cccc(F)c21
InChIInChI=1S/C19H12BrF2N3/c20-14-10-12(4-5-15(14)21)19(11-6-8-24-9-7-11)13-2-1-3-16(22)17(13)18(23)25-19/h1-10H,(H2,23,25)
InChIKeyQFXWZQKMTDYQHX-UHFFFAOYSA-N
XLogP4.13
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.23
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-fluorophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine?
The IUPAC name of 3-(3-bromo-4-fluorophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine (CID 58579477) is 3-(3-bromo-4-fluorophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine.
What is the SMILES notation for 3-(3-bromo-4-fluorophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine?
The canonical SMILES for 3-(3-bromo-4-fluorophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine is NC1=NC(c2ccncc2)(c2ccc(F)c(Br)c2)c2cccc(F)c21.
What is the InChIKey of 3-(3-bromo-4-fluorophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine?
The InChIKey is QFXWZQKMTDYQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrF2N3/c20-14-10-12(4-5-15(14)21)19(11-6-8-24-9-7-11)13-2-1-3-16(22)17(13)18(23)25-19/h1-10H,(H2,23,25).
What are the key properties of 3-(3-bromo-4-fluorophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine?
3-(3-bromo-4-fluorophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine has a molecular weight of 400.23 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-fluorophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine is sourced from PubChem (CID 58579477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).