2-(5-bromo-3-pyridinyl)-1,3-dihydroisoindol-4-amine

C13H12BrN3 — CID 114223014

IUPAC2-(5-bromo-3-pyridinyl)-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(c1cncc(Br)c1)C2
InChIInChI=1S/C13H12BrN3/c14-10-4-11(6-16-5-10)17-7-9-2-1-3-13(15)12(9)8-17/h1-6H,7-8,15H2
InChIKeyVXHRELBXANRPJD-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.95
Rot. Bonds1

About 2-(5-bromo-3-pyridinyl)-1,3-dihydroisoindol-4-amine

2-(5-bromo-3-pyridinyl)-1,3-dihydroisoindol-4-amine (PubChem CID 114223014) has the molecular formula C13H12BrN3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1,3-dihydroisoindol-4-amine
PubChem CID114223014
Molecular FormulaC13H12BrN3
Molecular Weight290.16 g/mol
Exact Mass289.02
IUPAC Name2-(5-bromo-3-pyridinyl)-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(c1cncc(Br)c1)C2
InChIInChI=1S/C13H12BrN3/c14-10-4-11(6-16-5-10)17-7-9-2-1-3-13(15)12(9)8-17/h1-6H,7-8,15H2
InChIKeyVXHRELBXANRPJD-UHFFFAOYSA-N
XLogP2.95
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Bromoisoquinolin-5-amine
CID 14580057
3-Bromo-4-methyl-1H-indole
CID 43163568
6-Bromo-1-(2-piperazin-1-ylethyl)indole
CID 44460748
N-[[1-[(4-bromophenyl)methyl]indol-3-yl]methyl]pyridin-3-amine
CID 137643218
N-[[1-[(2-bromophenyl)methyl]indol-3-yl]methyl]pyridin-3-amine
CID 137646624
N-[[1-[(3-bromophenyl)methyl]indol-3-yl]methyl]pyridin-3-amine
CID 137649979
1-(4-Bromophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 44116798
4-Bromoisoquinolin-8-amine
CID 459772
1-Pyridin-3-yl-2,3-dihydroindole
CID 11159904
2-pyridin-3-yl-3H-isoindol-1-imine
CID 5074510
5-Bromo-N-[(3,4-difluorophenyl)methyl]pyridin-3-amine
CID 57750235
(3S)-N-[(3-bromo-4-fluorophenyl)methyl]-1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine
CID 66854411

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1,3-dihydroisoindol-4-amine (CID 114223014) is 2-(5-bromo-3-pyridinyl)-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1,3-dihydroisoindol-4-amine is Nc1cccc2c1CN(c1cncc(Br)c1)C2.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1,3-dihydroisoindol-4-amine?
The InChIKey is VXHRELBXANRPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3/c14-10-4-11(6-16-5-10)17-7-9-2-1-3-13(15)12(9)8-17/h1-6H,7-8,15H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1,3-dihydroisoindol-4-amine?
2-(5-bromo-3-pyridinyl)-1,3-dihydroisoindol-4-amine has a molecular weight of 290.16 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 114223014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).