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

C18H13FN2O3S — CID 52996002

IUPAC1-(2-fluorophenyl)-5-oxo-7-thiophen-2-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
SMILESO=C1CC(c2cccs2)c2c(c(C(=O)O)cn2-c2ccccc2F)N1
InChIInChI=1S/C18H13FN2O3S/c19-12-4-1-2-5-13(12)21-9-11(18(23)24)16-17(21)10(8-15(22)20-16)14-6-3-7-25-14/h1-7,9-10H,8H2,(H,20,22)(H,23,24)
InChIKeyFPUFOWSMQNNOGJ-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.85
Rot. Bonds3

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

1-(2-fluorophenyl)-5-oxo-7-thiophen-2-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid (PubChem CID 52996002) has the molecular formula C18H13FN2O3S and a molecular weight of 356.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-oxo-7-thiophen-2-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-oxo-7-thiophen-2-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
PubChem CID52996002
Molecular FormulaC18H13FN2O3S
Molecular Weight356.38 g/mol
Exact Mass356.06
IUPAC Name1-(2-fluorophenyl)-5-oxo-7-thiophen-2-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
SMILESO=C1CC(c2cccs2)c2c(c(C(=O)O)cn2-c2ccccc2F)N1
InChIInChI=1S/C18H13FN2O3S/c19-12-4-1-2-5-13(12)21-9-11(18(23)24)16-17(21)10(8-15(22)20-16)14-6-3-7-25-14/h1-7,9-10H,8H2,(H,20,22)(H,23,24)
InChIKeyFPUFOWSMQNNOGJ-UHFFFAOYSA-N
XLogP3.85
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-oxo-7-thiophen-2-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The IUPAC name of 1-(2-fluorophenyl)-5-oxo-7-thiophen-2-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid (CID 52996002) is 1-(2-fluorophenyl)-5-oxo-7-thiophen-2-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2-fluorophenyl)-5-oxo-7-thiophen-2-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The canonical SMILES for 1-(2-fluorophenyl)-5-oxo-7-thiophen-2-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid is O=C1CC(c2cccs2)c2c(c(C(=O)O)cn2-c2ccccc2F)N1.
What is the InChIKey of 1-(2-fluorophenyl)-5-oxo-7-thiophen-2-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The InChIKey is FPUFOWSMQNNOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O3S/c19-12-4-1-2-5-13(12)21-9-11(18(23)24)16-17(21)10(8-15(22)20-16)14-6-3-7-25-14/h1-7,9-10H,8H2,(H,20,22)(H,23,24).
What are the key properties of 1-(2-fluorophenyl)-5-oxo-7-thiophen-2-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
1-(2-fluorophenyl)-5-oxo-7-thiophen-2-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-oxo-7-thiophen-2-yl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 52996002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).