6-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine

C13H11ClN2 — CID 96590793

IUPAC6-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
SMILESClc1ccc(-c2cc3c(cn2)CNC3)cc1
InChIInChI=1S/C13H11ClN2/c14-12-3-1-9(2-4-12)13-5-10-6-15-7-11(10)8-16-13/h1-5,8,15H,6-7H2
InChIKeyXAGPKIKEHJAJML-UHFFFAOYSA-N
MW230.70 g/mol
LogP3.01
Rot. Bonds1

About 6-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine

6-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine (PubChem CID 96590793) has the molecular formula C13H11ClN2 and a molecular weight of 230.70 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
PubChem CID96590793
Molecular FormulaC13H11ClN2
Molecular Weight230.70 g/mol
Exact Mass230.06
IUPAC Name6-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
SMILESClc1ccc(-c2cc3c(cn2)CNC3)cc1
InChIInChI=1S/C13H11ClN2/c14-12-3-1-9(2-4-12)13-5-10-6-15-7-11(10)8-16-13/h1-5,8,15H,6-7H2
InChIKeyXAGPKIKEHJAJML-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 6-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine (CID 96590793) is 6-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 6-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 6-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine is Clc1ccc(-c2cc3c(cn2)CNC3)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine?
The InChIKey is XAGPKIKEHJAJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2/c14-12-3-1-9(2-4-12)13-5-10-6-15-7-11(10)8-16-13/h1-5,8,15H,6-7H2.
What are the key properties of 6-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine?
6-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine has a molecular weight of 230.70 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 96590793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).