2-thiophen-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;hydrochloride

C11H13ClN2S — CID 82021966

IUPAC2-thiophen-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;hydrochloride
SMILESCl.c1csc(-c2cc3c([nH]2)CCNC3)c1
InChIInChI=1S/C11H12N2S.ClH/c1-2-11(14-5-1)10-6-8-7-12-4-3-9(8)13-10;/h1-2,5-6,12-13H,3-4,7H2;1H
InChIKeyPFQVBTMGVGMFHD-UHFFFAOYSA-N
MW240.76 g/mol
LogP2.81
Rot. Bonds1

About 2-thiophen-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;hydrochloride

2-thiophen-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;hydrochloride (PubChem CID 82021966) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is 2-thiophen-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name2-thiophen-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;hydrochloride
PubChem CID82021966
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC Name2-thiophen-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;hydrochloride
SMILESCl.c1csc(-c2cc3c([nH]2)CCNC3)c1
InChIInChI=1S/C11H12N2S.ClH/c1-2-11(14-5-1)10-6-8-7-12-4-3-9(8)13-10;/h1-2,5-6,12-13H,3-4,7H2;1H
InChIKeyPFQVBTMGVGMFHD-UHFFFAOYSA-N
XLogP2.81
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;hydrochloride?
The IUPAC name of 2-thiophen-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;hydrochloride (CID 82021966) is 2-thiophen-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 2-thiophen-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 2-thiophen-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;hydrochloride is Cl.c1csc(-c2cc3c([nH]2)CCNC3)c1.
What is the InChIKey of 2-thiophen-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;hydrochloride?
The InChIKey is PFQVBTMGVGMFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S.ClH/c1-2-11(14-5-1)10-6-8-7-12-4-3-9(8)13-10;/h1-2,5-6,12-13H,3-4,7H2;1H.
What are the key properties of 2-thiophen-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;hydrochloride?
2-thiophen-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;hydrochloride has a molecular weight of 240.76 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 82021966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).