2-(cyclopropylmethoxy)-3-(difluoromethoxy)-6-iodopyridine

C10H10F2INO2 — CID 87454075

IUPAC2-(cyclopropylmethoxy)-3-(difluoromethoxy)-6-iodopyridine
SMILESFC(F)Oc1ccc(I)nc1OCC1CC1
InChIInChI=1S/C10H10F2INO2/c11-10(12)16-7-3-4-8(13)14-9(7)15-5-6-1-2-6/h3-4,6,10H,1-2,5H2
InChIKeyNYBKLXMIGGYEQJ-UHFFFAOYSA-N
MW341.10 g/mol
LogP3.08
Rot. Bonds5

About 2-(cyclopropylmethoxy)-3-(difluoromethoxy)-6-iodopyridine

2-(cyclopropylmethoxy)-3-(difluoromethoxy)-6-iodopyridine (PubChem CID 87454075) has the molecular formula C10H10F2INO2 and a molecular weight of 341.10 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-3-(difluoromethoxy)-6-iodopyridine.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-3-(difluoromethoxy)-6-iodopyridine
PubChem CID87454075
Molecular FormulaC10H10F2INO2
Molecular Weight341.10 g/mol
Exact Mass340.97
IUPAC Name2-(cyclopropylmethoxy)-3-(difluoromethoxy)-6-iodopyridine
SMILESFC(F)Oc1ccc(I)nc1OCC1CC1
InChIInChI=1S/C10H10F2INO2/c11-10(12)16-7-3-4-8(13)14-9(7)15-5-6-1-2-6/h3-4,6,10H,1-2,5H2
InChIKeyNYBKLXMIGGYEQJ-UHFFFAOYSA-N
XLogP3.08
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.10
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(cyclopropylmethoxy)-3-(difluoromethoxy)-6-iodopyridine 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 2-(cyclopropylmethoxy)-3-(difluoromethoxy)-6-iodopyridine?
The IUPAC name of 2-(cyclopropylmethoxy)-3-(difluoromethoxy)-6-iodopyridine (CID 87454075) is 2-(cyclopropylmethoxy)-3-(difluoromethoxy)-6-iodopyridine.
What is the SMILES notation for 2-(cyclopropylmethoxy)-3-(difluoromethoxy)-6-iodopyridine?
The canonical SMILES for 2-(cyclopropylmethoxy)-3-(difluoromethoxy)-6-iodopyridine is FC(F)Oc1ccc(I)nc1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-3-(difluoromethoxy)-6-iodopyridine?
The InChIKey is NYBKLXMIGGYEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2INO2/c11-10(12)16-7-3-4-8(13)14-9(7)15-5-6-1-2-6/h3-4,6,10H,1-2,5H2.
What are the key properties of 2-(cyclopropylmethoxy)-3-(difluoromethoxy)-6-iodopyridine?
2-(cyclopropylmethoxy)-3-(difluoromethoxy)-6-iodopyridine has a molecular weight of 341.10 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-3-(difluoromethoxy)-6-iodopyridine is sourced from PubChem (CID 87454075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).