3-fluoro-4-iodo-2-[[1-(oxan-2-yloxy)cyclopropyl]methoxy]pyridine

C14H17FINO3 — CID 162684656

IUPAC3-fluoro-4-iodo-2-[[1-(oxan-2-yloxy)cyclopropyl]methoxy]pyridine
SMILESFc1c(I)ccnc1OCC1(OC2CCCCO2)CC1
InChIInChI=1S/C14H17FINO3/c15-12-10(16)4-7-17-13(12)19-9-14(5-6-14)20-11-3-1-2-8-18-11/h4,7,11H,1-3,5-6,8-9H2
InChIKeyDOXZPESHHJYTEE-UHFFFAOYSA-N
MW393.20 g/mol
LogP3.28
Rot. Bonds5

About 3-fluoro-4-iodo-2-[[1-(oxan-2-yloxy)cyclopropyl]methoxy]pyridine

3-fluoro-4-iodo-2-[[1-(oxan-2-yloxy)cyclopropyl]methoxy]pyridine (PubChem CID 162684656) has the molecular formula C14H17FINO3 and a molecular weight of 393.20 g/mol. Its IUPAC name is 3-fluoro-4-iodo-2-[[1-(oxan-2-yloxy)cyclopropyl]methoxy]pyridine.

Molecular Properties

Compound Name3-fluoro-4-iodo-2-[[1-(oxan-2-yloxy)cyclopropyl]methoxy]pyridine
PubChem CID162684656
Molecular FormulaC14H17FINO3
Molecular Weight393.20 g/mol
Exact Mass393.02
IUPAC Name3-fluoro-4-iodo-2-[[1-(oxan-2-yloxy)cyclopropyl]methoxy]pyridine
SMILESFc1c(I)ccnc1OCC1(OC2CCCCO2)CC1
InChIInChI=1S/C14H17FINO3/c15-12-10(16)4-7-17-13(12)19-9-14(5-6-14)20-11-3-1-2-8-18-11/h4,7,11H,1-3,5-6,8-9H2
InChIKeyDOXZPESHHJYTEE-UHFFFAOYSA-N
XLogP3.28
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.20
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-fluoro-4-iodo-2-[[1-(oxan-2-yloxy)cyclopropyl]methoxy]pyridine?
The IUPAC name of 3-fluoro-4-iodo-2-[[1-(oxan-2-yloxy)cyclopropyl]methoxy]pyridine (CID 162684656) is 3-fluoro-4-iodo-2-[[1-(oxan-2-yloxy)cyclopropyl]methoxy]pyridine.
What is the SMILES notation for 3-fluoro-4-iodo-2-[[1-(oxan-2-yloxy)cyclopropyl]methoxy]pyridine?
The canonical SMILES for 3-fluoro-4-iodo-2-[[1-(oxan-2-yloxy)cyclopropyl]methoxy]pyridine is Fc1c(I)ccnc1OCC1(OC2CCCCO2)CC1.
What is the InChIKey of 3-fluoro-4-iodo-2-[[1-(oxan-2-yloxy)cyclopropyl]methoxy]pyridine?
The InChIKey is DOXZPESHHJYTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FINO3/c15-12-10(16)4-7-17-13(12)19-9-14(5-6-14)20-11-3-1-2-8-18-11/h4,7,11H,1-3,5-6,8-9H2.
What are the key properties of 3-fluoro-4-iodo-2-[[1-(oxan-2-yloxy)cyclopropyl]methoxy]pyridine?
3-fluoro-4-iodo-2-[[1-(oxan-2-yloxy)cyclopropyl]methoxy]pyridine has a molecular weight of 393.20 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-iodo-2-[[1-(oxan-2-yloxy)cyclopropyl]methoxy]pyridine is sourced from PubChem (CID 162684656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).