(1R)-1-pyridin-3-yl-2,3-dihydro-1H-isoindole

C13H12N2 — CID 177219714

IUPAC(1R)-1-pyridin-3-yl-2,3-dihydro-1H-isoindole
SMILESc1cncc([C@@H]2NCc3ccccc32)c1
InChIInChI=1S/C13H12N2/c1-2-6-12-10(4-1)9-15-13(12)11-5-3-7-14-8-11/h1-8,13,15H,9H2/t13-/m0/s1
InChIKeyDXJMCHRHECFOOQ-ZDUSSCGKSA-N
MW196.25 g/mol
LogP2.27
Rot. Bonds1

About (1R)-1-pyridin-3-yl-2,3-dihydro-1H-isoindole

(1R)-1-pyridin-3-yl-2,3-dihydro-1H-isoindole (PubChem CID 177219714) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (1R)-1-pyridin-3-yl-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name(1R)-1-pyridin-3-yl-2,3-dihydro-1H-isoindole
PubChem CID177219714
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name(1R)-1-pyridin-3-yl-2,3-dihydro-1H-isoindole
SMILESc1cncc([C@@H]2NCc3ccccc32)c1
InChIInChI=1S/C13H12N2/c1-2-6-12-10(4-1)9-15-13(12)11-5-3-7-14-8-11/h1-8,13,15H,9H2/t13-/m0/s1
InChIKeyDXJMCHRHECFOOQ-ZDUSSCGKSA-N
XLogP2.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-pyridin-3-yl-1,2,3,4-tetrahydro-2,7-naphthyridine
CID 83970826
3-[(2S)-aziridin-2-yl]pyridine
CID 55263397
5-(2,3-dihydro-1H-isoindol-1-yl)quinoline
CID 81224318
(1R)-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 93031696
1-(3-cyclobutylphenyl)-2,3-dihydro-1H-isoindole
CID 114605983
8-(2,3-dihydro-1H-isoindol-1-yl)quinoline
CID 81224395
(2S)-1-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 176872171
1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole
CID 134966624
pyridin-3-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 116549767
1-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindole
CID 65042203
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-isoindole
CID 65046520
2-pyridin-3-yl-2,4-dihydro-1H-3,1-benzoxazine
CID 14893331

Frequently Asked Questions

What is the IUPAC name of (1R)-1-pyridin-3-yl-2,3-dihydro-1H-isoindole?
The IUPAC name of (1R)-1-pyridin-3-yl-2,3-dihydro-1H-isoindole (CID 177219714) is (1R)-1-pyridin-3-yl-2,3-dihydro-1H-isoindole.
What is the SMILES notation for (1R)-1-pyridin-3-yl-2,3-dihydro-1H-isoindole?
The canonical SMILES for (1R)-1-pyridin-3-yl-2,3-dihydro-1H-isoindole is c1cncc([C@@H]2NCc3ccccc32)c1.
What is the InChIKey of (1R)-1-pyridin-3-yl-2,3-dihydro-1H-isoindole?
The InChIKey is DXJMCHRHECFOOQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H12N2/c1-2-6-12-10(4-1)9-15-13(12)11-5-3-7-14-8-11/h1-8,13,15H,9H2/t13-/m0/s1.
What are the key properties of (1R)-1-pyridin-3-yl-2,3-dihydro-1H-isoindole?
(1R)-1-pyridin-3-yl-2,3-dihydro-1H-isoindole has a molecular weight of 196.25 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-pyridin-3-yl-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 177219714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).