2-hydroxyindole-2-carboxylic acid

C9H7NO3 — CID 134129253

IUPAC2-hydroxyindole-2-carboxylic acid
SMILESO=C(O)C1(O)C=c2ccccc2=N1
InChIInChI=1S/C9H7NO3/c11-8(12)9(13)5-6-3-1-2-4-7(6)10-9/h1-5,13H,(H,11,12)
InChIKeyFNIIHONWWZNHSU-UHFFFAOYSA-N
MW177.16 g/mol
LogP-1.13
Rot. Bonds1

About 2-hydroxyindole-2-carboxylic acid

2-hydroxyindole-2-carboxylic acid (PubChem CID 134129253) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-hydroxyindole-2-carboxylic acid.

Molecular Properties

Compound Name2-hydroxyindole-2-carboxylic acid
PubChem CID134129253
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name2-hydroxyindole-2-carboxylic acid
SMILESO=C(O)C1(O)C=c2ccccc2=N1
InChIInChI=1S/C9H7NO3/c11-8(12)9(13)5-6-3-1-2-4-7(6)10-9/h1-5,13H,(H,11,12)
InChIKeyFNIIHONWWZNHSU-UHFFFAOYSA-N
XLogP-1.13
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyphenyl)indole-2-carboxylic acid
CID 141242949
2-hydroxyindole-2-sulfonamide
CID 141118688
(2R)-2-[(2-methylindol-2-yl)amino]propanoic acid
CID 70151426
1-(3-hydroxy-2-methyl-2H-quinolin-3-yl)ethanone
CID 70592850
2-chloro-2-ethylindole
CID 142666503
3-[(2R)-2-aminoindol-2-yl]propan-1-ol
CID 150073251
spiro[1H-pyridine-2,2'-indole]
CID 156768233
indol-2-one;oxalic acid
CID 69382661
(2-methylbenzimidazol-2-yl)carbamic acid;hydrochloride
CID 70580441
1-hydroxy-1-[(2-pyridin-3-ylindol-2-yl)methyl]urea
CID 21260594
2-undecylbenzimidazole-2-carboxylic acid
CID 150823870
2-phenylimidazole-2-carboxylic acid
CID 23037034

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyindole-2-carboxylic acid?
The IUPAC name of 2-hydroxyindole-2-carboxylic acid (CID 134129253) is 2-hydroxyindole-2-carboxylic acid.
What is the SMILES notation for 2-hydroxyindole-2-carboxylic acid?
The canonical SMILES for 2-hydroxyindole-2-carboxylic acid is O=C(O)C1(O)C=c2ccccc2=N1.
What is the InChIKey of 2-hydroxyindole-2-carboxylic acid?
The InChIKey is FNIIHONWWZNHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c11-8(12)9(13)5-6-3-1-2-4-7(6)10-9/h1-5,13H,(H,11,12).
What are the key properties of 2-hydroxyindole-2-carboxylic acid?
2-hydroxyindole-2-carboxylic acid has a molecular weight of 177.16 g/mol, XLogP of -1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyindole-2-carboxylic acid is sourced from PubChem (CID 134129253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).