cyclopropylmethanol;2-(cyclopropylmethoxy)-6-iodo-3-methoxypyridine

C14H20INO3 — CID 159114657

IUPACcyclopropylmethanol;2-(cyclopropylmethoxy)-6-iodo-3-methoxypyridine
SMILESCOc1ccc(I)nc1OCC1CC1.OCC1CC1
InChIInChI=1S/C10H12INO2.C4H8O/c1-13-8-4-5-9(11)12-10(8)14-6-7-2-3-7;5-3-4-1-2-4/h4-5,7H,2-3,6H2,1H3;4-5H,1-3H2
InChIKeyKEXUUCGSSXOZQG-UHFFFAOYSA-N
MW377.22 g/mol
LogP2.87
Rot. Bonds5

About cyclopropylmethanol;2-(cyclopropylmethoxy)-6-iodo-3-methoxypyridine

cyclopropylmethanol;2-(cyclopropylmethoxy)-6-iodo-3-methoxypyridine (PubChem CID 159114657) has the molecular formula C14H20INO3 and a molecular weight of 377.22 g/mol. Its IUPAC name is cyclopropylmethanol;2-(cyclopropylmethoxy)-6-iodo-3-methoxypyridine.

Molecular Properties

Compound Namecyclopropylmethanol;2-(cyclopropylmethoxy)-6-iodo-3-methoxypyridine
PubChem CID159114657
Molecular FormulaC14H20INO3
Molecular Weight377.22 g/mol
Exact Mass377.05
IUPAC Namecyclopropylmethanol;2-(cyclopropylmethoxy)-6-iodo-3-methoxypyridine
SMILESCOc1ccc(I)nc1OCC1CC1.OCC1CC1
InChIInChI=1S/C10H12INO2.C4H8O/c1-13-8-4-5-9(11)12-10(8)14-6-7-2-3-7;5-3-4-1-2-4/h4-5,7H,2-3,6H2,1H3;4-5H,1-3H2
InChIKeyKEXUUCGSSXOZQG-UHFFFAOYSA-N
XLogP2.87
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.22
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cyclopropylmethanol;2-(cyclopropylmethoxy)-6-iodo-3-methoxypyridine 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 cyclopropylmethanol;2-(cyclopropylmethoxy)-6-iodo-3-methoxypyridine?
The IUPAC name of cyclopropylmethanol;2-(cyclopropylmethoxy)-6-iodo-3-methoxypyridine (CID 159114657) is cyclopropylmethanol;2-(cyclopropylmethoxy)-6-iodo-3-methoxypyridine.
What is the SMILES notation for cyclopropylmethanol;2-(cyclopropylmethoxy)-6-iodo-3-methoxypyridine?
The canonical SMILES for cyclopropylmethanol;2-(cyclopropylmethoxy)-6-iodo-3-methoxypyridine is COc1ccc(I)nc1OCC1CC1.OCC1CC1.
What is the InChIKey of cyclopropylmethanol;2-(cyclopropylmethoxy)-6-iodo-3-methoxypyridine?
The InChIKey is KEXUUCGSSXOZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO2.C4H8O/c1-13-8-4-5-9(11)12-10(8)14-6-7-2-3-7;5-3-4-1-2-4/h4-5,7H,2-3,6H2,1H3;4-5H,1-3H2.
What are the key properties of cyclopropylmethanol;2-(cyclopropylmethoxy)-6-iodo-3-methoxypyridine?
cyclopropylmethanol;2-(cyclopropylmethoxy)-6-iodo-3-methoxypyridine has a molecular weight of 377.22 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethanol;2-(cyclopropylmethoxy)-6-iodo-3-methoxypyridine is sourced from PubChem (CID 159114657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).