6-[(5-fluoro-6-methoxy-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid

C20H15FN2O3S — CID 68750887

IUPAC6-[(5-fluoro-6-methoxy-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
SMILESCOc1cc2[nH]c(-c3ccsc3)c(Cc3cccc(C(=O)O)n3)c2cc1F
InChIInChI=1S/C20H15FN2O3S/c1-26-18-9-17-13(8-15(18)21)14(19(23-17)11-5-6-27-10-11)7-12-3-2-4-16(22-12)20(24)25/h2-6,8-10,23H,7H2,1H3,(H,24,25)
InChIKeyFFQILKVCDVKKSG-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.73
Rot. Bonds5

About 6-[(5-fluoro-6-methoxy-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid

6-[(5-fluoro-6-methoxy-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 68750887) has the molecular formula C20H15FN2O3S and a molecular weight of 382.42 g/mol. Its IUPAC name is 6-[(5-fluoro-6-methoxy-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(5-fluoro-6-methoxy-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
PubChem CID68750887
Molecular FormulaC20H15FN2O3S
Molecular Weight382.42 g/mol
Exact Mass382.08
IUPAC Name6-[(5-fluoro-6-methoxy-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
SMILESCOc1cc2[nH]c(-c3ccsc3)c(Cc3cccc(C(=O)O)n3)c2cc1F
InChIInChI=1S/C20H15FN2O3S/c1-26-18-9-17-13(8-15(18)21)14(19(23-17)11-5-6-27-10-11)7-12-3-2-4-16(22-12)20(24)25/h2-6,8-10,23H,7H2,1H3,(H,24,25)
InChIKeyFFQILKVCDVKKSG-UHFFFAOYSA-N
XLogP4.73
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoro-6-methoxy-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(5-fluoro-6-methoxy-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid (CID 68750887) is 6-[(5-fluoro-6-methoxy-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(5-fluoro-6-methoxy-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(5-fluoro-6-methoxy-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid is COc1cc2[nH]c(-c3ccsc3)c(Cc3cccc(C(=O)O)n3)c2cc1F.
What is the InChIKey of 6-[(5-fluoro-6-methoxy-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is FFQILKVCDVKKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3S/c1-26-18-9-17-13(8-15(18)21)14(19(23-17)11-5-6-27-10-11)7-12-3-2-4-16(22-12)20(24)25/h2-6,8-10,23H,7H2,1H3,(H,24,25).
What are the key properties of 6-[(5-fluoro-6-methoxy-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
6-[(5-fluoro-6-methoxy-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 382.42 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoro-6-methoxy-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 68750887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).