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

C13H12FN3 — CID 114254655

IUPAC2-(5-fluoro-3-pyridinyl)-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(c1cncc(F)c1)C2
InChIInChI=1S/C13H12FN3/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
InChIKeyMBSWVZZSFPOVLF-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.32
Rot. Bonds1

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

2-(5-fluoro-3-pyridinyl)-1,3-dihydroisoindol-4-amine (PubChem CID 114254655) has the molecular formula C13H12FN3 and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-1,3-dihydroisoindol-4-amine
PubChem CID114254655
Molecular FormulaC13H12FN3
Molecular Weight229.26 g/mol
Exact Mass229.10
IUPAC Name2-(5-fluoro-3-pyridinyl)-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(c1cncc(F)c1)C2
InChIInChI=1S/C13H12FN3/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
InChIKeyMBSWVZZSFPOVLF-UHFFFAOYSA-N
XLogP2.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.32
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

1H-Indole, 7-(1-piperazinyl)-
CID 3069502
4-Aminoisoquinoline
CID 90237
(R,S)-1-(5-fluoro-1H-indol-1-yl)propan-2-amine
CID 9964324
1-(6-Fluoroindol-1-yl)propan-2-amine
CID 10679289
N-(pyridin-3-yl)indoline-1-carboxamide
CID 10823903
5-fluoro-3-[4-(piperazin-1-yl)butyl]-1H-indole
CID 10660028
Indolinyl(3-pyridylamino)methane-1-thione
CID 715759
2-Methyl-beta-carboline
CID 602830
1-Methyl-1H-pyrido[3,2-b]indole
CID 10749945
N-(1-(2,6-difluorobenzyl)pyrrolidin-3-yl)isoquinolin-5-amine
CID 10065796
N-(1-(4-fluorobenzyl)pyrrolidin-3-yl)isoquinolin-5-amine
CID 10471319
I+/-,4-Dimethyl-1H-indole-1-ethanamine
CID 10487869

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-1,3-dihydroisoindol-4-amine (CID 114254655) is 2-(5-fluoro-3-pyridinyl)-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-1,3-dihydroisoindol-4-amine is Nc1cccc2c1CN(c1cncc(F)c1)C2.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-1,3-dihydroisoindol-4-amine?
The InChIKey is MBSWVZZSFPOVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3/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-fluoro-3-pyridinyl)-1,3-dihydroisoindol-4-amine?
2-(5-fluoro-3-pyridinyl)-1,3-dihydroisoindol-4-amine has a molecular weight of 229.26 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 114254655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).