4-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine

C13H9ClN2 — CID 58086959

IUPAC4-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESClc1cccc(-c2ccnc3[nH]ccc23)c1
InChIInChI=1S/C13H9ClN2/c14-10-3-1-2-9(8-10)11-4-6-15-13-12(11)5-7-16-13/h1-8H,(H,15,16)
InChIKeyIENUMFKDRLVZKQ-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.88
Rot. Bonds1

About 4-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine

4-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58086959) has the molecular formula C13H9ClN2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID58086959
Molecular FormulaC13H9ClN2
Molecular Weight228.68 g/mol
Exact Mass228.05
IUPAC Name4-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESClc1cccc(-c2ccnc3[nH]ccc23)c1
InChIInChI=1S/C13H9ClN2/c14-10-3-1-2-9(8-10)11-4-6-15-13-12(11)5-7-16-13/h1-8H,(H,15,16)
InChIKeyIENUMFKDRLVZKQ-UHFFFAOYSA-N
XLogP3.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine (CID 58086959) is 4-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine is Clc1cccc(-c2ccnc3[nH]ccc23)c1.
What is the InChIKey of 4-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is IENUMFKDRLVZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2/c14-10-3-1-2-9(8-10)11-4-6-15-13-12(11)5-7-16-13/h1-8H,(H,15,16).
What are the key properties of 4-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine?
4-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 228.68 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58086959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).