6-(7-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid

C16H14N2O3 — CID 115110526

IUPAC6-(7-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid
SMILESCc1c(-c2ccc(C(=O)O)cn2)c2cccc(O)c2n1C
InChIInChI=1S/C16H14N2O3/c1-9-14(12-7-6-10(8-17-12)16(20)21)11-4-3-5-13(19)15(11)18(9)2/h3-8,19H,1-2H3,(H,20,21)
InChIKeyCJBRTAOQXIABTL-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.95
Rot. Bonds2

About 6-(7-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid

6-(7-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid (PubChem CID 115110526) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6-(7-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(7-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid
PubChem CID115110526
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name6-(7-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid
SMILESCc1c(-c2ccc(C(=O)O)cn2)c2cccc(O)c2n1C
InChIInChI=1S/C16H14N2O3/c1-9-14(12-7-6-10(8-17-12)16(20)21)11-4-3-5-13(19)15(11)18(9)2/h3-8,19H,1-2H3,(H,20,21)
InChIKeyCJBRTAOQXIABTL-UHFFFAOYSA-N
XLogP2.95
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(7-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(7-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(7-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid (CID 115110526) is 6-(7-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(7-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(7-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid is Cc1c(-c2ccc(C(=O)O)cn2)c2cccc(O)c2n1C.
What is the InChIKey of 6-(7-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid?
The InChIKey is CJBRTAOQXIABTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-9-14(12-7-6-10(8-17-12)16(20)21)11-4-3-5-13(19)15(11)18(9)2/h3-8,19H,1-2H3,(H,20,21).
What are the key properties of 6-(7-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid?
6-(7-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 115110526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).