6-hydroxy-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid

C12H12N2O3 — CID 69420432

IUPAC6-hydroxy-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid
SMILESO=C(O)n1c2c(c3cc(O)ccc31)CCNC2
InChIInChI=1S/C12H12N2O3/c15-7-1-2-10-9(5-7)8-3-4-13-6-11(8)14(10)12(16)17/h1-2,5,13,15H,3-4,6H2,(H,16,17)
InChIKeyNXOFSSMTKMSDDT-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.52
Rot. Bonds

About 6-hydroxy-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid

6-hydroxy-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid (PubChem CID 69420432) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 6-hydroxy-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid
PubChem CID69420432
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name6-hydroxy-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid
SMILESO=C(O)n1c2c(c3cc(O)ccc31)CCNC2
InChIInChI=1S/C12H12N2O3/c15-7-1-2-10-9(5-7)8-3-4-13-6-11(8)14(10)12(16)17/h1-2,5,13,15H,3-4,6H2,(H,16,17)
InChIKeyNXOFSSMTKMSDDT-UHFFFAOYSA-N
XLogP1.52
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid?
The IUPAC name of 6-hydroxy-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid (CID 69420432) is 6-hydroxy-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid.
What is the SMILES notation for 6-hydroxy-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid?
The canonical SMILES for 6-hydroxy-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid is O=C(O)n1c2c(c3cc(O)ccc31)CCNC2.
What is the InChIKey of 6-hydroxy-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid?
The InChIKey is NXOFSSMTKMSDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-7-1-2-10-9(5-7)8-3-4-13-6-11(8)14(10)12(16)17/h1-2,5,13,15H,3-4,6H2,(H,16,17).
What are the key properties of 6-hydroxy-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid?
6-hydroxy-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.52, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid is sourced from PubChem (CID 69420432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).