6-(2-chlorophenyl)-3-iodo-1H-pyrrolo[3,2-c]pyridine

C13H8ClIN2 — CID 71579451

IUPAC6-(2-chlorophenyl)-3-iodo-1H-pyrrolo[3,2-c]pyridine
SMILESClc1ccccc1-c1cc2[nH]cc(I)c2cn1
InChIInChI=1S/C13H8ClIN2/c14-10-4-2-1-3-8(10)12-5-13-9(6-16-12)11(15)7-17-13/h1-7,17H
InChIKeyCOAFMZYJEQIEGS-UHFFFAOYSA-N
MW354.58 g/mol
LogP4.49
Rot. Bonds1

About 6-(2-chlorophenyl)-3-iodo-1H-pyrrolo[3,2-c]pyridine

6-(2-chlorophenyl)-3-iodo-1H-pyrrolo[3,2-c]pyridine (PubChem CID 71579451) has the molecular formula C13H8ClIN2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-3-iodo-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-3-iodo-1H-pyrrolo[3,2-c]pyridine
PubChem CID71579451
Molecular FormulaC13H8ClIN2
Molecular Weight354.58 g/mol
Exact Mass353.94
IUPAC Name6-(2-chlorophenyl)-3-iodo-1H-pyrrolo[3,2-c]pyridine
SMILESClc1ccccc1-c1cc2[nH]cc(I)c2cn1
InChIInChI=1S/C13H8ClIN2/c14-10-4-2-1-3-8(10)12-5-13-9(6-16-12)11(15)7-17-13/h1-7,17H
InChIKeyCOAFMZYJEQIEGS-UHFFFAOYSA-N
XLogP4.49
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-3-iodo-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 6-(2-chlorophenyl)-3-iodo-1H-pyrrolo[3,2-c]pyridine (CID 71579451) is 6-(2-chlorophenyl)-3-iodo-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 6-(2-chlorophenyl)-3-iodo-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 6-(2-chlorophenyl)-3-iodo-1H-pyrrolo[3,2-c]pyridine is Clc1ccccc1-c1cc2[nH]cc(I)c2cn1.
What is the InChIKey of 6-(2-chlorophenyl)-3-iodo-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is COAFMZYJEQIEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClIN2/c14-10-4-2-1-3-8(10)12-5-13-9(6-16-12)11(15)7-17-13/h1-7,17H.
What are the key properties of 6-(2-chlorophenyl)-3-iodo-1H-pyrrolo[3,2-c]pyridine?
6-(2-chlorophenyl)-3-iodo-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 354.58 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-3-iodo-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 71579451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).