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

C11H10INO — CID 149450508

IUPAC2-iodo-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine
SMILESIN1CCc2oc3ccccc3c2C1
InChIInChI=1S/C11H10INO/c12-13-6-5-11-9(7-13)8-3-1-2-4-10(8)14-11/h1-4H,5-7H2
InChIKeyYXNTUYJJTMLUOH-UHFFFAOYSA-N
MW299.11 g/mol
LogP3.14
Rot. Bonds

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

2-iodo-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine (PubChem CID 149450508) has the molecular formula C11H10INO and a molecular weight of 299.11 g/mol. Its IUPAC name is 2-iodo-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name2-iodo-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine
PubChem CID149450508
Molecular FormulaC11H10INO
Molecular Weight299.11 g/mol
Exact Mass298.98
IUPAC Name2-iodo-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine
SMILESIN1CCc2oc3ccccc3c2C1
InChIInChI=1S/C11H10INO/c12-13-6-5-11-9(7-13)8-3-1-2-4-10(8)14-11/h1-4H,5-7H2
InChIKeyYXNTUYJJTMLUOH-UHFFFAOYSA-N
XLogP3.14
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethylpropan-1-amine;dihydrochloride
CID 23623279
3-cyclobutyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine
CID 168943688
2-ethyl-3-methyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine
CID 170406166
2-[2-(6-methyl-3,4-dihydropyridin-5-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine
CID 91125109
methanesulfonyl chloride;1,2,3,4-tetrahydrodibenzofuran
CID 91589984
1-(2,5-diazabicyclo[2.2.2]octan-2-yl)-2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethane-1,2-dione
CID 166274932
1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one
CID 21151936
1-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-2-piperidin-3-ylpropan-1-one;hydrochloride
CID 21151935
2,5,6,11c-tetrahydro-1H-[1]benzofuro[2,3-g]indolizin-3-one
CID 102396612
2,4-dihydro-1H-xanthene-3,9-dione
CID 102501574
dibenzofuran;hydrate
CID 70610865
dibenzofuran;hydrofluoride
CID 158307405

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 2-iodo-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine (CID 149450508) is 2-iodo-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 2-iodo-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 2-iodo-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine is IN1CCc2oc3ccccc3c2C1.
What is the InChIKey of 2-iodo-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine?
The InChIKey is YXNTUYJJTMLUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10INO/c12-13-6-5-11-9(7-13)8-3-1-2-4-10(8)14-11/h1-4H,5-7H2.
What are the key properties of 2-iodo-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine?
2-iodo-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine has a molecular weight of 299.11 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 149450508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).