3-(2-chloro-3-fluorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine

C17H10ClFN2S — CID 90221373

IUPAC3-(2-chloro-3-fluorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c1Cl
InChIInChI=1S/C17H10ClFN2S/c18-16-12(2-1-3-14(16)19)13-8-21-17-15(13)11(4-6-20-17)10-5-7-22-9-10/h1-9H,(H,20,21)
InChIKeyYQIQIAYFGTYXDV-UHFFFAOYSA-N
MW328.80 g/mol
LogP5.75
Rot. Bonds2

About 3-(2-chloro-3-fluorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine

3-(2-chloro-3-fluorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90221373) has the molecular formula C17H10ClFN2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-(2-chloro-3-fluorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(2-chloro-3-fluorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID90221373
Molecular FormulaC17H10ClFN2S
Molecular Weight328.80 g/mol
Exact Mass328.02
IUPAC Name3-(2-chloro-3-fluorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c1Cl
InChIInChI=1S/C17H10ClFN2S/c18-16-12(2-1-3-14(16)19)13-8-21-17-15(13)11(4-6-20-17)10-5-7-22-9-10/h1-9H,(H,20,21)
InChIKeyYQIQIAYFGTYXDV-UHFFFAOYSA-N
XLogP5.75
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.80
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-fluorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(2-chloro-3-fluorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine (CID 90221373) is 3-(2-chloro-3-fluorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(2-chloro-3-fluorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(2-chloro-3-fluorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine is Fc1cccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c1Cl.
What is the InChIKey of 3-(2-chloro-3-fluorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is YQIQIAYFGTYXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN2S/c18-16-12(2-1-3-14(16)19)13-8-21-17-15(13)11(4-6-20-17)10-5-7-22-9-10/h1-9H,(H,20,21).
What are the key properties of 3-(2-chloro-3-fluorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine?
3-(2-chloro-3-fluorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 328.80 g/mol, XLogP of 5.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-fluorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90221373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).