1-benzyl-4-chloropyrrolo[3,2-c]pyridine

C14H11ClN2 — CID 12927571

IUPAC1-benzyl-4-chloropyrrolo[3,2-c]pyridine
SMILESClc1nccc2c1ccn2Cc1ccccc1
InChIInChI=1S/C14H11ClN2/c15-14-12-7-9-17(13(12)6-8-16-14)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyXEZMMIDQTUEFCS-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.74
Rot. Bonds2

About 1-benzyl-4-chloropyrrolo[3,2-c]pyridine

1-benzyl-4-chloropyrrolo[3,2-c]pyridine (PubChem CID 12927571) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 1-benzyl-4-chloropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1-benzyl-4-chloropyrrolo[3,2-c]pyridine
PubChem CID12927571
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name1-benzyl-4-chloropyrrolo[3,2-c]pyridine
SMILESClc1nccc2c1ccn2Cc1ccccc1
InChIInChI=1S/C14H11ClN2/c15-14-12-7-9-17(13(12)6-8-16-14)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyXEZMMIDQTUEFCS-UHFFFAOYSA-N
XLogP3.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-chloropyrrolo[3,2-c]pyridine?
The IUPAC name of 1-benzyl-4-chloropyrrolo[3,2-c]pyridine (CID 12927571) is 1-benzyl-4-chloropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1-benzyl-4-chloropyrrolo[3,2-c]pyridine?
The canonical SMILES for 1-benzyl-4-chloropyrrolo[3,2-c]pyridine is Clc1nccc2c1ccn2Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-chloropyrrolo[3,2-c]pyridine?
The InChIKey is XEZMMIDQTUEFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c15-14-12-7-9-17(13(12)6-8-16-14)10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 1-benzyl-4-chloropyrrolo[3,2-c]pyridine?
1-benzyl-4-chloropyrrolo[3,2-c]pyridine has a molecular weight of 242.71 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-chloropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 12927571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).