2-(4-hydroxy-2-methoxyphenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol

C15H16N2O3 — CID 14989705

IUPAC2-(4-hydroxy-2-methoxyphenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol
SMILESCOc1cc(O)ccc1N1Cc2cnc(C)c(O)c2C1
InChIInChI=1S/C15H16N2O3/c1-9-15(19)12-8-17(7-10(12)6-16-9)13-4-3-11(18)5-14(13)20-2/h3-6,18-19H,7-8H2,1-2H3
InChIKeyIMILLMBZOXGXID-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.33
Rot. Bonds2

About 2-(4-hydroxy-2-methoxyphenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol

2-(4-hydroxy-2-methoxyphenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol (PubChem CID 14989705) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(4-hydroxy-2-methoxyphenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol.

Molecular Properties

Compound Name2-(4-hydroxy-2-methoxyphenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol
PubChem CID14989705
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-(4-hydroxy-2-methoxyphenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol
SMILESCOc1cc(O)ccc1N1Cc2cnc(C)c(O)c2C1
InChIInChI=1S/C15H16N2O3/c1-9-15(19)12-8-17(7-10(12)6-16-9)13-4-3-11(18)5-14(13)20-2/h3-6,18-19H,7-8H2,1-2H3
InChIKeyIMILLMBZOXGXID-UHFFFAOYSA-N
XLogP2.33
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2-methoxyphenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol?
The IUPAC name of 2-(4-hydroxy-2-methoxyphenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol (CID 14989705) is 2-(4-hydroxy-2-methoxyphenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol.
What is the SMILES notation for 2-(4-hydroxy-2-methoxyphenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol?
The canonical SMILES for 2-(4-hydroxy-2-methoxyphenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol is COc1cc(O)ccc1N1Cc2cnc(C)c(O)c2C1.
What is the InChIKey of 2-(4-hydroxy-2-methoxyphenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol?
The InChIKey is IMILLMBZOXGXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-15(19)12-8-17(7-10(12)6-16-9)13-4-3-11(18)5-14(13)20-2/h3-6,18-19H,7-8H2,1-2H3.
What are the key properties of 2-(4-hydroxy-2-methoxyphenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol?
2-(4-hydroxy-2-methoxyphenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol has a molecular weight of 272.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2-methoxyphenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol is sourced from PubChem (CID 14989705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).