1-(6-chloropyridine-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid

C15H11ClN2O3 — CID 80562800

IUPAC1-(6-chloropyridine-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cccc(Cl)n2)c2ccccc21
InChIInChI=1S/C15H11ClN2O3/c16-13-7-3-5-11(17-13)14(19)18-8-10(15(20)21)9-4-1-2-6-12(9)18/h1-7,10H,8H2,(H,20,21)
InChIKeyIDTOCNYJPMBFGA-UHFFFAOYSA-N
MW302.72 g/mol
LogP2.56
Rot. Bonds2

About 1-(6-chloropyridine-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid

1-(6-chloropyridine-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80562800) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is 1-(6-chloropyridine-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-chloropyridine-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID80562800
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name1-(6-chloropyridine-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cccc(Cl)n2)c2ccccc21
InChIInChI=1S/C15H11ClN2O3/c16-13-7-3-5-11(17-13)14(19)18-8-10(15(20)21)9-4-1-2-6-12(9)18/h1-7,10H,8H2,(H,20,21)
InChIKeyIDTOCNYJPMBFGA-UHFFFAOYSA-N
XLogP2.56
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridine-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(6-chloropyridine-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid (CID 80562800) is 1-(6-chloropyridine-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(6-chloropyridine-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(6-chloropyridine-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid is O=C(O)C1CN(C(=O)c2cccc(Cl)n2)c2ccccc21.
What is the InChIKey of 1-(6-chloropyridine-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is IDTOCNYJPMBFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c16-13-7-3-5-11(17-13)14(19)18-8-10(15(20)21)9-4-1-2-6-12(9)18/h1-7,10H,8H2,(H,20,21).
What are the key properties of 1-(6-chloropyridine-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
1-(6-chloropyridine-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 302.72 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridine-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80562800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).