(3-iodofuro[2,3-b]pyridin-5-yl)methanol

C8H6INO2 — CID 133061609

IUPAC(3-iodofuro[2,3-b]pyridin-5-yl)methanol
SMILESOCc1cnc2occ(I)c2c1
InChIInChI=1S/C8H6INO2/c9-7-4-12-8-6(7)1-5(3-11)2-10-8/h1-2,4,11H,3H2
InChIKeyCVNJORFGASWHHZ-UHFFFAOYSA-N
MW275.04 g/mol
LogP1.92
Rot. Bonds1

About (3-iodofuro[2,3-b]pyridin-5-yl)methanol

(3-iodofuro[2,3-b]pyridin-5-yl)methanol (PubChem CID 133061609) has the molecular formula C8H6INO2 and a molecular weight of 275.04 g/mol. Its IUPAC name is (3-iodofuro[2,3-b]pyridin-5-yl)methanol.

Molecular Properties

Compound Name(3-iodofuro[2,3-b]pyridin-5-yl)methanol
PubChem CID133061609
Molecular FormulaC8H6INO2
Molecular Weight275.04 g/mol
Exact Mass274.94
IUPAC Name(3-iodofuro[2,3-b]pyridin-5-yl)methanol
SMILESOCc1cnc2occ(I)c2c1
InChIInChI=1S/C8H6INO2/c9-7-4-12-8-6(7)1-5(3-11)2-10-8/h1-2,4,11H,3H2
InChIKeyCVNJORFGASWHHZ-UHFFFAOYSA-N
XLogP1.92
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.04
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-iodofuro[2,3-b]pyridin-5-yl)methanol?
The IUPAC name of (3-iodofuro[2,3-b]pyridin-5-yl)methanol (CID 133061609) is (3-iodofuro[2,3-b]pyridin-5-yl)methanol.
What is the SMILES notation for (3-iodofuro[2,3-b]pyridin-5-yl)methanol?
The canonical SMILES for (3-iodofuro[2,3-b]pyridin-5-yl)methanol is OCc1cnc2occ(I)c2c1.
What is the InChIKey of (3-iodofuro[2,3-b]pyridin-5-yl)methanol?
The InChIKey is CVNJORFGASWHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6INO2/c9-7-4-12-8-6(7)1-5(3-11)2-10-8/h1-2,4,11H,3H2.
What are the key properties of (3-iodofuro[2,3-b]pyridin-5-yl)methanol?
(3-iodofuro[2,3-b]pyridin-5-yl)methanol has a molecular weight of 275.04 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodofuro[2,3-b]pyridin-5-yl)methanol is sourced from PubChem (CID 133061609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).