5-(4-fluorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid

C15H12FNO3 — CID 174655126

IUPAC5-(4-fluorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2cc(-c3ccc(F)cc3)ccc2N1O
InChIInChI=1S/C15H12FNO3/c16-12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-14(15(18)19)17(13)20/h1-7,14,20H,8H2,(H,18,19)
InChIKeyXGCPYRBRHYPJQN-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.70
Rot. Bonds2

About 5-(4-fluorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid

5-(4-fluorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid (PubChem CID 174655126) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid
PubChem CID174655126
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name5-(4-fluorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2cc(-c3ccc(F)cc3)ccc2N1O
InChIInChI=1S/C15H12FNO3/c16-12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-14(15(18)19)17(13)20/h1-7,14,20H,8H2,(H,18,19)
InChIKeyXGCPYRBRHYPJQN-UHFFFAOYSA-N
XLogP2.70
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid (CID 174655126) is 5-(4-fluorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2cc(-c3ccc(F)cc3)ccc2N1O.
What is the InChIKey of 5-(4-fluorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is XGCPYRBRHYPJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c16-12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-14(15(18)19)17(13)20/h1-7,14,20H,8H2,(H,18,19).
What are the key properties of 5-(4-fluorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid?
5-(4-fluorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 273.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 174655126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).