6-chloro-2-cyclohexyl-3-iodofuro[3,2-b]pyridine

C13H13ClINO — CID 171512500

IUPAC6-chloro-2-cyclohexyl-3-iodofuro[3,2-b]pyridine
SMILESClc1cnc2c(I)c(C3CCCCC3)oc2c1
InChIInChI=1S/C13H13ClINO/c14-9-6-10-12(16-7-9)11(15)13(17-10)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyHMZRHVOFEIDVGS-UHFFFAOYSA-N
MW361.61 g/mol
LogP5.13
Rot. Bonds1

About 6-chloro-2-cyclohexyl-3-iodofuro[3,2-b]pyridine

6-chloro-2-cyclohexyl-3-iodofuro[3,2-b]pyridine (PubChem CID 171512500) has the molecular formula C13H13ClINO and a molecular weight of 361.61 g/mol. Its IUPAC name is 6-chloro-2-cyclohexyl-3-iodofuro[3,2-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-cyclohexyl-3-iodofuro[3,2-b]pyridine
PubChem CID171512500
Molecular FormulaC13H13ClINO
Molecular Weight361.61 g/mol
Exact Mass360.97
IUPAC Name6-chloro-2-cyclohexyl-3-iodofuro[3,2-b]pyridine
SMILESClc1cnc2c(I)c(C3CCCCC3)oc2c1
InChIInChI=1S/C13H13ClINO/c14-9-6-10-12(16-7-9)11(15)13(17-10)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyHMZRHVOFEIDVGS-UHFFFAOYSA-N
XLogP5.13
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.61
LogP ≤ 55.13
H-Bond Donors ≤ 50
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 6-chloro-2-cyclohexyl-3-iodofuro[3,2-b]pyridine?
The IUPAC name of 6-chloro-2-cyclohexyl-3-iodofuro[3,2-b]pyridine (CID 171512500) is 6-chloro-2-cyclohexyl-3-iodofuro[3,2-b]pyridine.
What is the SMILES notation for 6-chloro-2-cyclohexyl-3-iodofuro[3,2-b]pyridine?
The canonical SMILES for 6-chloro-2-cyclohexyl-3-iodofuro[3,2-b]pyridine is Clc1cnc2c(I)c(C3CCCCC3)oc2c1.
What is the InChIKey of 6-chloro-2-cyclohexyl-3-iodofuro[3,2-b]pyridine?
The InChIKey is HMZRHVOFEIDVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClINO/c14-9-6-10-12(16-7-9)11(15)13(17-10)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 6-chloro-2-cyclohexyl-3-iodofuro[3,2-b]pyridine?
6-chloro-2-cyclohexyl-3-iodofuro[3,2-b]pyridine has a molecular weight of 361.61 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclohexyl-3-iodofuro[3,2-b]pyridine is sourced from PubChem (CID 171512500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).