2-iodo-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride

C6H10Cl2IN3 — CID 155821583

IUPAC2-iodo-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
SMILESCl.Cl.Ic1nc2c([nH]1)CNCC2
InChIInChI=1S/C6H8IN3.2ClH/c7-6-9-4-1-2-8-3-5(4)10-6;;/h8H,1-3H2,(H,9,10);2*1H
InChIKeyFTERZQQQRFJHAP-UHFFFAOYSA-N
MW321.98 g/mol
LogP1.50
Rot. Bonds

About 2-iodo-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride

2-iodo-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride (PubChem CID 155821583) has the molecular formula C6H10Cl2IN3 and a molecular weight of 321.98 g/mol. Its IUPAC name is 2-iodo-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride.

Molecular Properties

Compound Name2-iodo-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
PubChem CID155821583
Molecular FormulaC6H10Cl2IN3
Molecular Weight321.98 g/mol
Exact Mass320.93
IUPAC Name2-iodo-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
SMILESCl.Cl.Ic1nc2c([nH]1)CNCC2
InChIInChI=1S/C6H8IN3.2ClH/c7-6-9-4-1-2-8-3-5(4)10-6;;/h8H,1-3H2,(H,9,10);2*1H
InChIKeyFTERZQQQRFJHAP-UHFFFAOYSA-N
XLogP1.50
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.98
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride?
The IUPAC name of 2-iodo-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride (CID 155821583) is 2-iodo-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride.
What is the SMILES notation for 2-iodo-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride?
The canonical SMILES for 2-iodo-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride is Cl.Cl.Ic1nc2c([nH]1)CNCC2.
What is the InChIKey of 2-iodo-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride?
The InChIKey is FTERZQQQRFJHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8IN3.2ClH/c7-6-9-4-1-2-8-3-5(4)10-6;;/h8H,1-3H2,(H,9,10);2*1H.
What are the key properties of 2-iodo-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride?
2-iodo-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride has a molecular weight of 321.98 g/mol, XLogP of 1.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride is sourced from PubChem (CID 155821583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).