7-iodo-1,1-dimethyl-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine

C13H14INO — CID 67323748

IUPAC7-iodo-1,1-dimethyl-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine
SMILESCC1(C)NCCc2c1oc1cc(I)ccc21
InChIInChI=1S/C13H14INO/c1-13(2)12-10(5-6-15-13)9-4-3-8(14)7-11(9)16-12/h3-4,7,15H,5-6H2,1-2H3
InChIKeyXLXKARBOUIZJQD-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.42
Rot. Bonds

About 7-iodo-1,1-dimethyl-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine

7-iodo-1,1-dimethyl-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine (PubChem CID 67323748) has the molecular formula C13H14INO and a molecular weight of 327.17 g/mol. Its IUPAC name is 7-iodo-1,1-dimethyl-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name7-iodo-1,1-dimethyl-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine
PubChem CID67323748
Molecular FormulaC13H14INO
Molecular Weight327.17 g/mol
Exact Mass327.01
IUPAC Name7-iodo-1,1-dimethyl-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine
SMILESCC1(C)NCCc2c1oc1cc(I)ccc21
InChIInChI=1S/C13H14INO/c1-13(2)12-10(5-6-15-13)9-4-3-8(14)7-11(9)16-12/h3-4,7,15H,5-6H2,1-2H3
InChIKeyXLXKARBOUIZJQD-UHFFFAOYSA-N
XLogP3.42
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-iodo-1,1-dimethyl-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-iodo-1,1-dimethyl-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 7-iodo-1,1-dimethyl-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine (CID 67323748) is 7-iodo-1,1-dimethyl-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 7-iodo-1,1-dimethyl-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 7-iodo-1,1-dimethyl-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine is CC1(C)NCCc2c1oc1cc(I)ccc21.
What is the InChIKey of 7-iodo-1,1-dimethyl-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine?
The InChIKey is XLXKARBOUIZJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14INO/c1-13(2)12-10(5-6-15-13)9-4-3-8(14)7-11(9)16-12/h3-4,7,15H,5-6H2,1-2H3.
What are the key properties of 7-iodo-1,1-dimethyl-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine?
7-iodo-1,1-dimethyl-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine has a molecular weight of 327.17 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-1,1-dimethyl-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 67323748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).