3-(3-bromophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine

C19H13BrFN3 — CID 58579485

IUPAC3-(3-bromophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine
SMILESNC1=NC(c2ccncc2)(c2cccc(Br)c2)c2cccc(F)c21
InChIInChI=1S/C19H13BrFN3/c20-14-4-1-3-13(11-14)19(12-7-9-23-10-8-12)15-5-2-6-16(21)17(15)18(22)24-19/h1-11H,(H2,22,24)
InChIKeyMYZDBWLDNVOEIL-UHFFFAOYSA-N
MW382.24 g/mol
LogP3.99
Rot. Bonds2

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

3-(3-bromophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine (PubChem CID 58579485) has the molecular formula C19H13BrFN3 and a molecular weight of 382.24 g/mol. Its IUPAC name is 3-(3-bromophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine
PubChem CID58579485
Molecular FormulaC19H13BrFN3
Molecular Weight382.24 g/mol
Exact Mass381.03
IUPAC Name3-(3-bromophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine
SMILESNC1=NC(c2ccncc2)(c2cccc(Br)c2)c2cccc(F)c21
InChIInChI=1S/C19H13BrFN3/c20-14-4-1-3-13(11-14)19(12-7-9-23-10-8-12)15-5-2-6-16(21)17(15)18(22)24-19/h1-11H,(H2,22,24)
InChIKeyMYZDBWLDNVOEIL-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine?
The IUPAC name of 3-(3-bromophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine (CID 58579485) is 3-(3-bromophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine is NC1=NC(c2ccncc2)(c2cccc(Br)c2)c2cccc(F)c21.
What is the InChIKey of 3-(3-bromophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine?
The InChIKey is MYZDBWLDNVOEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFN3/c20-14-4-1-3-13(11-14)19(12-7-9-23-10-8-12)15-5-2-6-16(21)17(15)18(22)24-19/h1-11H,(H2,22,24).
What are the key properties of 3-(3-bromophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine?
3-(3-bromophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine has a molecular weight of 382.24 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-7-fluoro-3-pyridin-4-ylisoindol-1-amine is sourced from PubChem (CID 58579485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).