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

C13H12FN3 — CID 19595196

IUPACN-(3-fluoro-4-pyridinyl)-1,3-dihydroisoindol-2-amine
SMILESFc1cnccc1NN1Cc2ccccc2C1
InChIInChI=1S/C13H12FN3/c14-12-7-15-6-5-13(12)16-17-8-10-3-1-2-4-11(10)9-17/h1-7H,8-9H2,(H,15,16)
InChIKeyWPDSPUZBORDIJW-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.56
Rot. Bonds2

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

N-(3-fluoro-4-pyridinyl)-1,3-dihydroisoindol-2-amine (PubChem CID 19595196) has the molecular formula C13H12FN3 and a molecular weight of 229.26 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-1,3-dihydroisoindol-2-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-1,3-dihydroisoindol-2-amine
PubChem CID19595196
Molecular FormulaC13H12FN3
Molecular Weight229.26 g/mol
Exact Mass229.10
IUPAC NameN-(3-fluoro-4-pyridinyl)-1,3-dihydroisoindol-2-amine
SMILESFc1cnccc1NN1Cc2ccccc2C1
InChIInChI=1S/C13H12FN3/c14-12-7-15-6-5-13(12)16-17-8-10-3-1-2-4-11(10)9-17/h1-7H,8-9H2,(H,15,16)
InChIKeyWPDSPUZBORDIJW-UHFFFAOYSA-N
XLogP2.56
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-1,3-dihydroisoindol-2-amine?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-1,3-dihydroisoindol-2-amine (CID 19595196) is N-(3-fluoro-4-pyridinyl)-1,3-dihydroisoindol-2-amine.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-1,3-dihydroisoindol-2-amine?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-1,3-dihydroisoindol-2-amine is Fc1cnccc1NN1Cc2ccccc2C1.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-1,3-dihydroisoindol-2-amine?
The InChIKey is WPDSPUZBORDIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3/c14-12-7-15-6-5-13(12)16-17-8-10-3-1-2-4-11(10)9-17/h1-7H,8-9H2,(H,15,16).
What are the key properties of N-(3-fluoro-4-pyridinyl)-1,3-dihydroisoindol-2-amine?
N-(3-fluoro-4-pyridinyl)-1,3-dihydroisoindol-2-amine has a molecular weight of 229.26 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-1,3-dihydroisoindol-2-amine is sourced from PubChem (CID 19595196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).