5-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid

C14H13ClN2O3 — CID 69258900

IUPAC5-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C1Nc2cc(Cl)ccc2C1C1=CN(C(=O)O)CCC1
InChIInChI=1S/C14H13ClN2O3/c15-9-3-4-10-11(6-9)16-13(18)12(10)8-2-1-5-17(7-8)14(19)20/h3-4,6-7,12H,1-2,5H2,(H,16,18)(H,19,20)
InChIKeyZHUFCQIQSVYPQQ-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.03
Rot. Bonds1

About 5-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid

5-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 69258900) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 5-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID69258900
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name5-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C1Nc2cc(Cl)ccc2C1C1=CN(C(=O)O)CCC1
InChIInChI=1S/C14H13ClN2O3/c15-9-3-4-10-11(6-9)16-13(18)12(10)8-2-1-5-17(7-8)14(19)20/h3-4,6-7,12H,1-2,5H2,(H,16,18)(H,19,20)
InChIKeyZHUFCQIQSVYPQQ-UHFFFAOYSA-N
XLogP3.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-3,4-dihydro-2H-pyridine-1-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 5-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 5-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid (CID 69258900) is 5-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 5-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 5-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid is O=C1Nc2cc(Cl)ccc2C1C1=CN(C(=O)O)CCC1.
What is the InChIKey of 5-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is ZHUFCQIQSVYPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c15-9-3-4-10-11(6-9)16-13(18)12(10)8-2-1-5-17(7-8)14(19)20/h3-4,6-7,12H,1-2,5H2,(H,16,18)(H,19,20).
What are the key properties of 5-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid?
5-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 292.72 g/mol, XLogP of 3.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 69258900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).