3-(2-chloro-3-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine

C17H10ClFN2S — CID 90221298

IUPAC3-(2-chloro-3-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cccc(-c2c[nH]c3ncc(-c4ccsc4)cc23)c1Cl
InChIInChI=1S/C17H10ClFN2S/c18-16-12(2-1-3-15(16)19)14-8-21-17-13(14)6-11(7-20-17)10-4-5-22-9-10/h1-9H,(H,20,21)
InChIKeyPLVCQVRLAFJNOX-UHFFFAOYSA-N
MW328.80 g/mol
LogP5.75
Rot. Bonds2

About 3-(2-chloro-3-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine

3-(2-chloro-3-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90221298) has the molecular formula C17H10ClFN2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-(2-chloro-3-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(2-chloro-3-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID90221298
Molecular FormulaC17H10ClFN2S
Molecular Weight328.80 g/mol
Exact Mass328.02
IUPAC Name3-(2-chloro-3-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cccc(-c2c[nH]c3ncc(-c4ccsc4)cc23)c1Cl
InChIInChI=1S/C17H10ClFN2S/c18-16-12(2-1-3-15(16)19)14-8-21-17-13(14)6-11(7-20-17)10-4-5-22-9-10/h1-9H,(H,20,21)
InChIKeyPLVCQVRLAFJNOX-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

Analyze 3-(2-chloro-3-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(2-chloro-3-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine (CID 90221298) is 3-(2-chloro-3-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(2-chloro-3-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(2-chloro-3-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine is Fc1cccc(-c2c[nH]c3ncc(-c4ccsc4)cc23)c1Cl.
What is the InChIKey of 3-(2-chloro-3-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is PLVCQVRLAFJNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN2S/c18-16-12(2-1-3-15(16)19)14-8-21-17-13(14)6-11(7-20-17)10-4-5-22-9-10/h1-9H,(H,20,21).
What are the key properties of 3-(2-chloro-3-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine?
3-(2-chloro-3-fluorophenyl)-5-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)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90221298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).