1-(3-bromophenyl)-1-(3-fluoro-4-pyridinyl)isoindol-5-amine

C19H13BrFN3 — CID 68982353

IUPAC1-(3-bromophenyl)-1-(3-fluoro-4-pyridinyl)isoindol-5-amine
SMILESNc1ccc2c(c1)C=NC2(c1cccc(Br)c1)c1ccncc1F
InChIInChI=1S/C19H13BrFN3/c20-14-3-1-2-13(9-14)19(17-6-7-23-11-18(17)21)16-5-4-15(22)8-12(16)10-24-19/h1-11H,22H2
InChIKeyHGIHEHMZDTYMOQ-UHFFFAOYSA-N
MW382.24 g/mol
LogP4.29
Rot. Bonds2

About 1-(3-bromophenyl)-1-(3-fluoro-4-pyridinyl)isoindol-5-amine

1-(3-bromophenyl)-1-(3-fluoro-4-pyridinyl)isoindol-5-amine (PubChem CID 68982353) has the molecular formula C19H13BrFN3 and a molecular weight of 382.24 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(3-fluoro-4-pyridinyl)isoindol-5-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-(3-fluoro-4-pyridinyl)isoindol-5-amine
PubChem CID68982353
Molecular FormulaC19H13BrFN3
Molecular Weight382.24 g/mol
Exact Mass381.03
IUPAC Name1-(3-bromophenyl)-1-(3-fluoro-4-pyridinyl)isoindol-5-amine
SMILESNc1ccc2c(c1)C=NC2(c1cccc(Br)c1)c1ccncc1F
InChIInChI=1S/C19H13BrFN3/c20-14-3-1-2-13(9-14)19(17-6-7-23-11-18(17)21)16-5-4-15(22)8-12(16)10-24-19/h1-11H,22H2
InChIKeyHGIHEHMZDTYMOQ-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(3-fluoro-4-pyridinyl)isoindol-5-amine?
The IUPAC name of 1-(3-bromophenyl)-1-(3-fluoro-4-pyridinyl)isoindol-5-amine (CID 68982353) is 1-(3-bromophenyl)-1-(3-fluoro-4-pyridinyl)isoindol-5-amine.
What is the SMILES notation for 1-(3-bromophenyl)-1-(3-fluoro-4-pyridinyl)isoindol-5-amine?
The canonical SMILES for 1-(3-bromophenyl)-1-(3-fluoro-4-pyridinyl)isoindol-5-amine is Nc1ccc2c(c1)C=NC2(c1cccc(Br)c1)c1ccncc1F.
What is the InChIKey of 1-(3-bromophenyl)-1-(3-fluoro-4-pyridinyl)isoindol-5-amine?
The InChIKey is HGIHEHMZDTYMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFN3/c20-14-3-1-2-13(9-14)19(17-6-7-23-11-18(17)21)16-5-4-15(22)8-12(16)10-24-19/h1-11H,22H2.
What are the key properties of 1-(3-bromophenyl)-1-(3-fluoro-4-pyridinyl)isoindol-5-amine?
1-(3-bromophenyl)-1-(3-fluoro-4-pyridinyl)isoindol-5-amine has a molecular weight of 382.24 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-(3-fluoro-4-pyridinyl)isoindol-5-amine is sourced from PubChem (CID 68982353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).