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

C13H9ClN2 — CID 171499086

IUPAC6-(3-chlorophenyl)-1H-pyrrolo[3,2-c]pyridine
SMILESClc1cccc(-c2cc3[nH]ccc3cn2)c1
InChIInChI=1S/C13H9ClN2/c14-11-3-1-2-9(6-11)12-7-13-10(8-16-12)4-5-15-13/h1-8,15H
InChIKeyJDVNGXFQJINIBM-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.88
Rot. Bonds1

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

6-(3-chlorophenyl)-1H-pyrrolo[3,2-c]pyridine (PubChem CID 171499086) has the molecular formula C13H9ClN2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name6-(3-chlorophenyl)-1H-pyrrolo[3,2-c]pyridine
PubChem CID171499086
Molecular FormulaC13H9ClN2
Molecular Weight228.68 g/mol
Exact Mass228.05
IUPAC Name6-(3-chlorophenyl)-1H-pyrrolo[3,2-c]pyridine
SMILESClc1cccc(-c2cc3[nH]ccc3cn2)c1
InChIInChI=1S/C13H9ClN2/c14-11-3-1-2-9(6-11)12-7-13-10(8-16-12)4-5-15-13/h1-8,15H
InChIKeyJDVNGXFQJINIBM-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 6-(3-chlorophenyl)-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 6-(3-chlorophenyl)-1H-pyrrolo[3,2-c]pyridine (CID 171499086) is 6-(3-chlorophenyl)-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 6-(3-chlorophenyl)-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 6-(3-chlorophenyl)-1H-pyrrolo[3,2-c]pyridine is Clc1cccc(-c2cc3[nH]ccc3cn2)c1.
What is the InChIKey of 6-(3-chlorophenyl)-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is JDVNGXFQJINIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2/c14-11-3-1-2-9(6-11)12-7-13-10(8-16-12)4-5-15-13/h1-8,15H.
What are the key properties of 6-(3-chlorophenyl)-1H-pyrrolo[3,2-c]pyridine?
6-(3-chlorophenyl)-1H-pyrrolo[3,2-c]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 6-(3-chlorophenyl)-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 171499086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).