4-methyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol

C13H15NO2 — CID 14151698

IUPAC4-methyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol
SMILESCN1CCC=C2c3cc(O)ccc3OCC21
InChIInChI=1S/C13H15NO2/c1-14-6-2-3-10-11-7-9(15)4-5-13(11)16-8-12(10)14/h3-5,7,12,15H,2,6,8H2,1H3
InChIKeyBGBULBPIVTWFIU-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.87
Rot. Bonds

About 4-methyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol

4-methyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol (PubChem CID 14151698) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-methyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol.

Molecular Properties

Compound Name4-methyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol
PubChem CID14151698
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name4-methyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol
SMILESCN1CCC=C2c3cc(O)ccc3OCC21
InChIInChI=1S/C13H15NO2/c1-14-6-2-3-10-11-7-9(15)4-5-13(11)16-8-12(10)14/h3-5,7,12,15H,2,6,8H2,1H3
InChIKeyBGBULBPIVTWFIU-UHFFFAOYSA-N
XLogP1.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol?
The IUPAC name of 4-methyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol (CID 14151698) is 4-methyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol.
What is the SMILES notation for 4-methyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol?
The canonical SMILES for 4-methyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol is CN1CCC=C2c3cc(O)ccc3OCC21.
What is the InChIKey of 4-methyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol?
The InChIKey is BGBULBPIVTWFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-14-6-2-3-10-11-7-9(15)4-5-13(11)16-8-12(10)14/h3-5,7,12,15H,2,6,8H2,1H3.
What are the key properties of 4-methyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol?
4-methyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol has a molecular weight of 217.27 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol is sourced from PubChem (CID 14151698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).