1-(2-chloropyridine-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid

C15H11ClN2O3 — CID 45349346

IUPAC1-(2-chloropyridine-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCN2C(=O)c1cccnc1Cl
InChIInChI=1S/C15H11ClN2O3/c16-13-11(2-1-6-17-13)14(19)18-7-5-9-8-10(15(20)21)3-4-12(9)18/h1-4,6,8H,5,7H2,(H,20,21)
InChIKeyLFUYAGLTDBCCPV-UHFFFAOYSA-N
MW302.72 g/mol
LogP2.64
Rot. Bonds2

About 1-(2-chloropyridine-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid

1-(2-chloropyridine-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid (PubChem CID 45349346) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is 1-(2-chloropyridine-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloropyridine-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid
PubChem CID45349346
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name1-(2-chloropyridine-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCN2C(=O)c1cccnc1Cl
InChIInChI=1S/C15H11ClN2O3/c16-13-11(2-1-6-17-13)14(19)18-7-5-9-8-10(15(20)21)3-4-12(9)18/h1-4,6,8H,5,7H2,(H,20,21)
InChIKeyLFUYAGLTDBCCPV-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
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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Related Compounds

1-(pyridazine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 115909656
1-(6-fluoropyridine-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 115496318
1-(2-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 103790198
1-(5-methylfuran-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 43217662
(3,4-dichlorophenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 91813767
methyl 2-[(2-chloro-3-oxospiro[3.5]non-1-en-1-yl)amino]-3-[1-(2-chloropyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanoate
CID 87596687
1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61181121
(2-piperidin-1-yl-3-pyridinyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 55759909
1-(2-bromofuran-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 106850894
methyl 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroindole-5-carboxylate
CID 55871361
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
(5-bromo-2,3-dihydroindol-1-yl)-(3,4-dichlorophenyl)methanone
CID 47444577

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropyridine-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-(2-chloropyridine-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid (CID 45349346) is 1-(2-chloropyridine-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-(2-chloropyridine-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-(2-chloropyridine-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)CCN2C(=O)c1cccnc1Cl.
What is the InChIKey of 1-(2-chloropyridine-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is LFUYAGLTDBCCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c16-13-11(2-1-6-17-13)14(19)18-7-5-9-8-10(15(20)21)3-4-12(9)18/h1-4,6,8H,5,7H2,(H,20,21).
What are the key properties of 1-(2-chloropyridine-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
1-(2-chloropyridine-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 302.72 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropyridine-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 45349346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).