5-amino-6-(2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid

C14H13N3O2 — CID 81440035

IUPAC5-amino-6-(2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1N1CCc2ccccc21
InChIInChI=1S/C14H13N3O2/c15-11-7-10(14(18)19)8-16-13(11)17-6-5-9-3-1-2-4-12(9)17/h1-4,7-8H,5-6,15H2,(H,18,19)
InChIKeyYQZVFQQCCJMNRD-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.06
Rot. Bonds2

About 5-amino-6-(2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid

5-amino-6-(2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid (PubChem CID 81440035) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-amino-6-(2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid
PubChem CID81440035
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name5-amino-6-(2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1N1CCc2ccccc21
InChIInChI=1S/C14H13N3O2/c15-11-7-10(14(18)19)8-16-13(11)17-6-5-9-3-1-2-4-12(9)17/h1-4,7-8H,5-6,15H2,(H,18,19)
InChIKeyYQZVFQQCCJMNRD-UHFFFAOYSA-N
XLogP2.06
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid (CID 81440035) is 5-amino-6-(2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid is Nc1cc(C(=O)O)cnc1N1CCc2ccccc21.
What is the InChIKey of 5-amino-6-(2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid?
The InChIKey is YQZVFQQCCJMNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c15-11-7-10(14(18)19)8-16-13(11)17-6-5-9-3-1-2-4-12(9)17/h1-4,7-8H,5-6,15H2,(H,18,19).
What are the key properties of 5-amino-6-(2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid?
5-amino-6-(2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid has a molecular weight of 255.28 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 81440035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).