2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylic acid

C13H13NO3 — CID 105489135

IUPAC2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylic acid
SMILESO=C(O)C1CCCn2c1cc1cc(O)ccc12
InChIInChI=1S/C13H13NO3/c15-9-3-4-11-8(6-9)7-12-10(13(16)17)2-1-5-14(11)12/h3-4,6-7,10,15H,1-2,5H2,(H,16,17)
InChIKeyXCMSIEUTFODDJJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.31
Rot. Bonds1

About 2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylic acid

2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylic acid (PubChem CID 105489135) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylic acid
PubChem CID105489135
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylic acid
SMILESO=C(O)C1CCCn2c1cc1cc(O)ccc12
InChIInChI=1S/C13H13NO3/c15-9-3-4-11-8(6-9)7-12-10(13(16)17)2-1-5-14(11)12/h3-4,6-7,10,15H,1-2,5H2,(H,16,17)
InChIKeyXCMSIEUTFODDJJ-UHFFFAOYSA-N
XLogP2.31
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-3-ol
CID 105454412
5-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-carboxylic acid
CID 105470701
6-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid
CID 105470706
6-hydroxy-22-methyl-10,14,22-triazapentacyclo[12.8.0.02,10.04,9.016,21]docosa-2,4(9),5,7,16,18,20-heptaen-15-one
CID 86342551
2-(azepan-1-yl)-5-hydroxybenzoic acid
CID 12784733
2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid
CID 115003515
3-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117152049
2-ethyl-3-(1-methylpyrrole-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid
CID 70536821
(3S)-1-(2,5-dihydroxybenzoyl)piperidine-3-carboxylic acid
CID 107721752
7-hydroxy-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 83833649
9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]indole
CID 15287247
17-hydroxy-3-methyl-7-thia-3,10,13-triazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(20),4(8),5,14(19),15,17-hexaen-9-one
CID 86342555

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylic acid?
The IUPAC name of 2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylic acid (CID 105489135) is 2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylic acid.
What is the SMILES notation for 2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylic acid?
The canonical SMILES for 2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylic acid is O=C(O)C1CCCn2c1cc1cc(O)ccc12.
What is the InChIKey of 2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylic acid?
The InChIKey is XCMSIEUTFODDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-9-3-4-11-8(6-9)7-12-10(13(16)17)2-1-5-14(11)12/h3-4,6-7,10,15H,1-2,5H2,(H,16,17).
What are the key properties of 2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylic acid?
2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]indole-9-carboxylic acid is sourced from PubChem (CID 105489135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).