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

C19H12ClFN2O2S — CID 68756213

IUPAC6-[(6-chloro-5-fluoro-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cc2c(-c3ccsc3)[nH]c3cc(Cl)c(F)cc23)n1
InChIInChI=1S/C19H12ClFN2O2S/c20-14-8-17-12(7-15(14)21)13(18(23-17)10-4-5-26-9-10)6-11-2-1-3-16(22-11)19(24)25/h1-5,7-9,23H,6H2,(H,24,25)
InChIKeyPGSKABHJWKKGSC-UHFFFAOYSA-N
MW386.84 g/mol
LogP5.37
Rot. Bonds4

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

6-[(6-chloro-5-fluoro-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 68756213) has the molecular formula C19H12ClFN2O2S and a molecular weight of 386.84 g/mol. Its IUPAC name is 6-[(6-chloro-5-fluoro-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(6-chloro-5-fluoro-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
PubChem CID68756213
Molecular FormulaC19H12ClFN2O2S
Molecular Weight386.84 g/mol
Exact Mass386.03
IUPAC Name6-[(6-chloro-5-fluoro-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cc2c(-c3ccsc3)[nH]c3cc(Cl)c(F)cc23)n1
InChIInChI=1S/C19H12ClFN2O2S/c20-14-8-17-12(7-15(14)21)13(18(23-17)10-4-5-26-9-10)6-11-2-1-3-16(22-11)19(24)25/h1-5,7-9,23H,6H2,(H,24,25)
InChIKeyPGSKABHJWKKGSC-UHFFFAOYSA-N
XLogP5.37
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.84
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-5-fluoro-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(6-chloro-5-fluoro-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid (CID 68756213) is 6-[(6-chloro-5-fluoro-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(6-chloro-5-fluoro-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(6-chloro-5-fluoro-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(Cc2c(-c3ccsc3)[nH]c3cc(Cl)c(F)cc23)n1.
What is the InChIKey of 6-[(6-chloro-5-fluoro-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is PGSKABHJWKKGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2O2S/c20-14-8-17-12(7-15(14)21)13(18(23-17)10-4-5-26-9-10)6-11-2-1-3-16(22-11)19(24)25/h1-5,7-9,23H,6H2,(H,24,25).
What are the key properties of 6-[(6-chloro-5-fluoro-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
6-[(6-chloro-5-fluoro-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 386.84 g/mol, XLogP of 5.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-5-fluoro-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 68756213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).