2-hydroxy-6-(1H-indol-5-yl)benzoic acid

C15H11NO3 — CID 174341729

IUPAC2-hydroxy-6-(1H-indol-5-yl)benzoic acid
SMILESO=C(O)c1c(O)cccc1-c1ccc2[nH]ccc2c1
InChIInChI=1S/C15H11NO3/c17-13-3-1-2-11(14(13)15(18)19)9-4-5-12-10(8-9)6-7-16-12/h1-8,16-17H,(H,18,19)
InChIKeyOGXADSHLJNFALC-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.24
Rot. Bonds2

About 2-hydroxy-6-(1H-indol-5-yl)benzoic acid

2-hydroxy-6-(1H-indol-5-yl)benzoic acid (PubChem CID 174341729) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-hydroxy-6-(1H-indol-5-yl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-6-(1H-indol-5-yl)benzoic acid
PubChem CID174341729
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name2-hydroxy-6-(1H-indol-5-yl)benzoic acid
SMILESO=C(O)c1c(O)cccc1-c1ccc2[nH]ccc2c1
InChIInChI=1S/C15H11NO3/c17-13-3-1-2-11(14(13)15(18)19)9-4-5-12-10(8-9)6-7-16-12/h1-8,16-17H,(H,18,19)
InChIKeyOGXADSHLJNFALC-UHFFFAOYSA-N
XLogP3.24
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-(1H-indol-5-yl)phenyl]-1H-indole
CID 102414263
5-(1H-indol-5-yl)pyridazine-4-carboxylic acid
CID 82388436
4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284807
5-(1H-indol-5-yl)-2,3,4-trimethoxybenzoic acid
CID 155912985
3-(1H-indol-5-yl)-1H-indazole-6-carboxylic acid
CID 39220248
2-(1H-indol-5-yl)benzonitrile
CID 21468934
5-[2-[(2-phenylphenyl)methoxy]phenyl]-1H-indole
CID 141077944
1-[4-(1H-indol-5-yl)phenyl]ethanone
CID 82039796
5-(1H-indol-5-yl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82388064
4-(1H-indol-5-yl)-1H-indazol-3-amine
CID 11288115
3-(1H-indol-6-yl)pyridine-2-carboxylic acid
CID 175760025
2-[4-(1H-indol-5-yl)phenyl]-2-methylpropanoic acid
CID 82039803

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-(1H-indol-5-yl)benzoic acid?
The IUPAC name of 2-hydroxy-6-(1H-indol-5-yl)benzoic acid (CID 174341729) is 2-hydroxy-6-(1H-indol-5-yl)benzoic acid.
What is the SMILES notation for 2-hydroxy-6-(1H-indol-5-yl)benzoic acid?
The canonical SMILES for 2-hydroxy-6-(1H-indol-5-yl)benzoic acid is O=C(O)c1c(O)cccc1-c1ccc2[nH]ccc2c1.
What is the InChIKey of 2-hydroxy-6-(1H-indol-5-yl)benzoic acid?
The InChIKey is OGXADSHLJNFALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-13-3-1-2-11(14(13)15(18)19)9-4-5-12-10(8-9)6-7-16-12/h1-8,16-17H,(H,18,19).
What are the key properties of 2-hydroxy-6-(1H-indol-5-yl)benzoic acid?
2-hydroxy-6-(1H-indol-5-yl)benzoic acid has a molecular weight of 253.26 g/mol, XLogP of 3.24, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-(1H-indol-5-yl)benzoic acid is sourced from PubChem (CID 174341729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).