6-(4-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid

C16H14N2O3 — CID 115110676

IUPAC6-(4-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid
SMILESCc1c(-c2ccc(C(=O)O)cn2)c2c(O)cccc2n1C
InChIInChI=1S/C16H14N2O3/c1-9-14(11-7-6-10(8-17-11)16(20)21)15-12(18(9)2)4-3-5-13(15)19/h3-8,19H,1-2H3,(H,20,21)
InChIKeyWNOIVEJCRIPTSR-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.95
Rot. Bonds2

About 6-(4-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid

6-(4-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid (PubChem CID 115110676) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6-(4-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid
PubChem CID115110676
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name6-(4-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid
SMILESCc1c(-c2ccc(C(=O)O)cn2)c2c(O)cccc2n1C
InChIInChI=1S/C16H14N2O3/c1-9-14(11-7-6-10(8-17-11)16(20)21)15-12(18(9)2)4-3-5-13(15)19/h3-8,19H,1-2H3,(H,20,21)
InChIKeyWNOIVEJCRIPTSR-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

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Related Compounds

6-(2-hydroxyphenyl)pyridine-3-carboxylic acid
CID 135741475
6-(4-chloro-2-methyl-1H-indol-3-yl)pyridine-3-carboxylic acid
CID 115110657
6-(6-phenyl-1,2,4,5-tetrazin-3-yl)pyridine-3-carboxylic acid
CID 59153724
5-(4-chloro-1,2-dimethylindol-3-yl)-1-methylpyrazole-4-carboxylic acid
CID 115109214
4-[1-(4-fluoro-3-methylphenyl)-4-hydroxy-2-propan-2-ylindol-3-yl]benzoic acid
CID 156878493
6-(4-hydroxy-1H-indol-2-yl)pyridine-3-carboxylic acid
CID 136986560
6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53223675
6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid
CID 24729990
3-acetyl-1,2-dimethylindole-4-carboxylic acid
CID 83947145
6-(2,3-difluorophenyl)pyridine-3-carboxylic acid
CID 24729986
6-(3-chlorophenyl)pyridine-3-carboxylic acid
CID 24729969
6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid
CID 131619918

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid (CID 115110676) is 6-(4-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid is Cc1c(-c2ccc(C(=O)O)cn2)c2c(O)cccc2n1C.
What is the InChIKey of 6-(4-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid?
The InChIKey is WNOIVEJCRIPTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-9-14(11-7-6-10(8-17-11)16(20)21)15-12(18(9)2)4-3-5-13(15)19/h3-8,19H,1-2H3,(H,20,21).
What are the key properties of 6-(4-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid?
6-(4-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-(4-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 115110676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).