5-methoxy-6-pyridin-3-yl-2,3-dihydroisoindol-1-one

C14H12N2O2 — CID 140925375

IUPAC5-methoxy-6-pyridin-3-yl-2,3-dihydroisoindol-1-one
SMILESCOc1cc2c(cc1-c1cccnc1)C(=O)NC2
InChIInChI=1S/C14H12N2O2/c1-18-13-5-10-8-16-14(17)12(10)6-11(13)9-3-2-4-15-7-9/h2-7H,8H2,1H3,(H,16,17)
InChIKeyOTUXDCOYFAQJDP-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.00
Rot. Bonds2

About 5-methoxy-6-pyridin-3-yl-2,3-dihydroisoindol-1-one

5-methoxy-6-pyridin-3-yl-2,3-dihydroisoindol-1-one (PubChem CID 140925375) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-methoxy-6-pyridin-3-yl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-methoxy-6-pyridin-3-yl-2,3-dihydroisoindol-1-one
PubChem CID140925375
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name5-methoxy-6-pyridin-3-yl-2,3-dihydroisoindol-1-one
SMILESCOc1cc2c(cc1-c1cccnc1)C(=O)NC2
InChIInChI=1S/C14H12N2O2/c1-18-13-5-10-8-16-14(17)12(10)6-11(13)9-3-2-4-15-7-9/h2-7H,8H2,1H3,(H,16,17)
InChIKeyOTUXDCOYFAQJDP-UHFFFAOYSA-N
XLogP2.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dimethoxy-4-pyridin-3-ylphenyl)pyridine
CID 156631933
3-(2,4-dimethoxyphenyl)pyridine
CID 46316965
3-(5-fluoro-2-methoxy-4-methylphenyl)pyridine
CID 158694980
8-methoxy-9-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid
CID 89464697
3-(2-methoxyphenyl)pyridine
CID 4133297
2-chloro-4-methoxy-5-pyridin-3-ylpyridine
CID 175166261
methyl 4-methoxy-3-pyridin-3-ylbenzoate
CID 46317451
3-(5-ethoxy-2-methoxy-4-methylphenyl)pyridine
CID 159955267
3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine
CID 46317325
3-(2,3-dimethoxyphenyl)pyridine
CID 22001178
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
3-(2-methoxy-3-pyridin-3-ylphenyl)pyridine
CID 46316374

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-pyridin-3-yl-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-methoxy-6-pyridin-3-yl-2,3-dihydroisoindol-1-one (CID 140925375) is 5-methoxy-6-pyridin-3-yl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-methoxy-6-pyridin-3-yl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-methoxy-6-pyridin-3-yl-2,3-dihydroisoindol-1-one is COc1cc2c(cc1-c1cccnc1)C(=O)NC2.
What is the InChIKey of 5-methoxy-6-pyridin-3-yl-2,3-dihydroisoindol-1-one?
The InChIKey is OTUXDCOYFAQJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-18-13-5-10-8-16-14(17)12(10)6-11(13)9-3-2-4-15-7-9/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 5-methoxy-6-pyridin-3-yl-2,3-dihydroisoindol-1-one?
5-methoxy-6-pyridin-3-yl-2,3-dihydroisoindol-1-one has a molecular weight of 240.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-pyridin-3-yl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 140925375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).