1-(6-fluoropyridine-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid

C15H11FN2O3 — CID 115496318

IUPAC1-(6-fluoropyridine-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCN2C(=O)c1cccc(F)n1
InChIInChI=1S/C15H11FN2O3/c16-13-3-1-2-11(17-13)14(19)18-7-6-9-8-10(15(20)21)4-5-12(9)18/h1-5,8H,6-7H2,(H,20,21)
InChIKeyWJUMVXWFZKGVJX-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.12
Rot. Bonds2

About 1-(6-fluoropyridine-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid

1-(6-fluoropyridine-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid (PubChem CID 115496318) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 1-(6-fluoropyridine-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-(6-fluoropyridine-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid
PubChem CID115496318
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name1-(6-fluoropyridine-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCN2C(=O)c1cccc(F)n1
InChIInChI=1S/C15H11FN2O3/c16-13-3-1-2-11(17-13)14(19)18-7-6-9-8-10(15(20)21)4-5-12(9)18/h1-5,8H,6-7H2,(H,20,21)
InChIKeyWJUMVXWFZKGVJX-UHFFFAOYSA-N
XLogP2.12
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.12
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-(2-chloropyridine-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349346
1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 65199902
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid
CID 43558372
2,3-dihydroindol-1-yl-(6-methyl-2-pyridinyl)methanone
CID 33315959
2,3-dihydro-1,4-benzothiazin-4-yl-(6-fluoro-2-pyridinyl)methanone
CID 113323424
1-(5-methylfuran-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 43217662
1-(2-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 103790198
1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61181121
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
N-(2,6-difluorophenyl)-6-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109100342

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoropyridine-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-(6-fluoropyridine-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid (CID 115496318) is 1-(6-fluoropyridine-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-(6-fluoropyridine-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-(6-fluoropyridine-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)CCN2C(=O)c1cccc(F)n1.
What is the InChIKey of 1-(6-fluoropyridine-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is WJUMVXWFZKGVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c16-13-3-1-2-11(17-13)14(19)18-7-6-9-8-10(15(20)21)4-5-12(9)18/h1-5,8H,6-7H2,(H,20,21).
What are the key properties of 1-(6-fluoropyridine-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
1-(6-fluoropyridine-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 286.26 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoropyridine-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 115496318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).