5-hydroxy-6-methyl-1H-indole-2-carboxylic acid

C10H9NO3 — CID 83817997

IUPAC5-hydroxy-6-methyl-1H-indole-2-carboxylic acid
SMILESCc1cc2[nH]c(C(=O)O)cc2cc1O
InChIInChI=1S/C10H9NO3/c1-5-2-7-6(4-9(5)12)3-8(11-7)10(13)14/h2-4,11-12H,1H3,(H,13,14)
InChIKeyYEUSONYZSNJQBU-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.88
Rot. Bonds1

About 5-hydroxy-6-methyl-1H-indole-2-carboxylic acid

5-hydroxy-6-methyl-1H-indole-2-carboxylic acid (PubChem CID 83817997) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 5-hydroxy-6-methyl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-6-methyl-1H-indole-2-carboxylic acid
PubChem CID83817997
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name5-hydroxy-6-methyl-1H-indole-2-carboxylic acid
SMILESCc1cc2[nH]c(C(=O)O)cc2cc1O
InChIInChI=1S/C10H9NO3/c1-5-2-7-6(4-9(5)12)3-8(11-7)10(13)14/h2-4,11-12H,1H3,(H,13,14)
InChIKeyYEUSONYZSNJQBU-UHFFFAOYSA-N
XLogP1.88
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-6-methyl-1H-indole-2-carboxylic acid
CID 22338224
5-fluoro-6-hydroxy-1H-indole-2-carboxylic acid
CID 141128884
5-fluoro-6-methyl-1H-indole-2-carboxylic acid;methyl 5-fluoro-6-methyl-1H-indole-2-carboxylate
CID 160768064
3-hydroxy-6,7-dimethyl-1H-quinolin-2-one
CID 177377378
5-amino-6-ethyl-1H-indole-2-carboxylic acid
CID 82396653
methyl 5,6-dihydroxy-1H-indole-2-carboxylate
CID 22162548
methyl 5,6-dimethyl-1H-indole-2-carboxylate
CID 10867407
ethane;1H-indole-2-carboxylic acid
CID 91052830
6-tert-butyl-1H-indole-2-carboxylic acid
CID 5172468
5-chloro-1H-indole-2-carboxylic acid;ethane
CID 143173847
6-(4-hydroxyphenyl)-1H-indole-2-carboxylic acid
CID 39232374
6-(dimethylamino)-1H-indole-2-carboxylic acid;hydrochloride
CID 17389553

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-methyl-1H-indole-2-carboxylic acid?
The IUPAC name of 5-hydroxy-6-methyl-1H-indole-2-carboxylic acid (CID 83817997) is 5-hydroxy-6-methyl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-hydroxy-6-methyl-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-hydroxy-6-methyl-1H-indole-2-carboxylic acid is Cc1cc2[nH]c(C(=O)O)cc2cc1O.
What is the InChIKey of 5-hydroxy-6-methyl-1H-indole-2-carboxylic acid?
The InChIKey is YEUSONYZSNJQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-5-2-7-6(4-9(5)12)3-8(11-7)10(13)14/h2-4,11-12H,1H3,(H,13,14).
What are the key properties of 5-hydroxy-6-methyl-1H-indole-2-carboxylic acid?
5-hydroxy-6-methyl-1H-indole-2-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 1.88, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-methyl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 83817997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).