1-(2-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

C20H15FN2O4 — CID 52996332

IUPAC1-(2-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
SMILESO=C1CC(c2cccc(O)c2)c2c(c(C(=O)O)cn2-c2ccccc2F)N1
InChIInChI=1S/C20H15FN2O4/c21-15-6-1-2-7-16(15)23-10-14(20(26)27)18-19(23)13(9-17(25)22-18)11-4-3-5-12(24)8-11/h1-8,10,13,24H,9H2,(H,22,25)(H,26,27)
InChIKeyDQESGGSTXMNOJP-UHFFFAOYSA-N
MW366.35 g/mol
LogP3.49
Rot. Bonds3

About 1-(2-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

1-(2-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid (PubChem CID 52996332) has the molecular formula C20H15FN2O4 and a molecular weight of 366.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
PubChem CID52996332
Molecular FormulaC20H15FN2O4
Molecular Weight366.35 g/mol
Exact Mass366.10
IUPAC Name1-(2-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
SMILESO=C1CC(c2cccc(O)c2)c2c(c(C(=O)O)cn2-c2ccccc2F)N1
InChIInChI=1S/C20H15FN2O4/c21-15-6-1-2-7-16(15)23-10-14(20(26)27)18-19(23)13(9-17(25)22-18)11-4-3-5-12(24)8-11/h1-8,10,13,24H,9H2,(H,22,25)(H,26,27)
InChIKeyDQESGGSTXMNOJP-UHFFFAOYSA-N
XLogP3.49
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The IUPAC name of 1-(2-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid (CID 52996332) is 1-(2-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The canonical SMILES for 1-(2-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid is O=C1CC(c2cccc(O)c2)c2c(c(C(=O)O)cn2-c2ccccc2F)N1.
What is the InChIKey of 1-(2-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The InChIKey is DQESGGSTXMNOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O4/c21-15-6-1-2-7-16(15)23-10-14(20(26)27)18-19(23)13(9-17(25)22-18)11-4-3-5-12(24)8-11/h1-8,10,13,24H,9H2,(H,22,25)(H,26,27).
What are the key properties of 1-(2-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
1-(2-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid has a molecular weight of 366.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 52996332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).