ethyl 2-(difluoromethyl)-4-iodo-5-methoxypyridine-3-carboxylate

C10H10F2INO3 — CID 133101504

IUPACethyl 2-(difluoromethyl)-4-iodo-5-methoxypyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)F)ncc(OC)c1I
InChIInChI=1S/C10H10F2INO3/c1-3-17-10(15)6-7(13)5(16-2)4-14-8(6)9(11)12/h4,9H,3H2,1-2H3
InChIKeyXLMMZEAFCUVTJI-UHFFFAOYSA-N
MW357.09 g/mol
LogP2.81
Rot. Bonds4

About ethyl 2-(difluoromethyl)-4-iodo-5-methoxypyridine-3-carboxylate

ethyl 2-(difluoromethyl)-4-iodo-5-methoxypyridine-3-carboxylate (PubChem CID 133101504) has the molecular formula C10H10F2INO3 and a molecular weight of 357.09 g/mol. Its IUPAC name is ethyl 2-(difluoromethyl)-4-iodo-5-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(difluoromethyl)-4-iodo-5-methoxypyridine-3-carboxylate
PubChem CID133101504
Molecular FormulaC10H10F2INO3
Molecular Weight357.09 g/mol
Exact Mass356.97
IUPAC Nameethyl 2-(difluoromethyl)-4-iodo-5-methoxypyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)F)ncc(OC)c1I
InChIInChI=1S/C10H10F2INO3/c1-3-17-10(15)6-7(13)5(16-2)4-14-8(6)9(11)12/h4,9H,3H2,1-2H3
InChIKeyXLMMZEAFCUVTJI-UHFFFAOYSA-N
XLogP2.81
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.09
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-(difluoromethyl)-4-iodo-5-methoxypyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-chloro-2-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 134684705
ethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate
CID 133100499
ethyl 4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxylate
CID 133102055
ethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
CID 133105363
ethyl 4-(aminomethyl)-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 133104245
ethyl 5-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carboxylate
CID 133084245
2-(difluoromethyl)-5-methoxy-4-methylpyridine-3-carboxamide
CID 118809416
ethyl 5-amino-4-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 134673659
ethyl 4-chloro-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 134672013
ethyl 2-(difluoromethyl)-3,5-dihydroxypyridine-4-carboxylate
CID 133093322
ethyl 3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylate
CID 133098582
ethyl 2-(difluoromethyl)-3-hydroxy-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134677712

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(difluoromethyl)-4-iodo-5-methoxypyridine-3-carboxylate?
The IUPAC name of ethyl 2-(difluoromethyl)-4-iodo-5-methoxypyridine-3-carboxylate (CID 133101504) is ethyl 2-(difluoromethyl)-4-iodo-5-methoxypyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(difluoromethyl)-4-iodo-5-methoxypyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(difluoromethyl)-4-iodo-5-methoxypyridine-3-carboxylate is CCOC(=O)c1c(C(F)F)ncc(OC)c1I.
What is the InChIKey of ethyl 2-(difluoromethyl)-4-iodo-5-methoxypyridine-3-carboxylate?
The InChIKey is XLMMZEAFCUVTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2INO3/c1-3-17-10(15)6-7(13)5(16-2)4-14-8(6)9(11)12/h4,9H,3H2,1-2H3.
What are the key properties of ethyl 2-(difluoromethyl)-4-iodo-5-methoxypyridine-3-carboxylate?
ethyl 2-(difluoromethyl)-4-iodo-5-methoxypyridine-3-carboxylate has a molecular weight of 357.09 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(difluoromethyl)-4-iodo-5-methoxypyridine-3-carboxylate is sourced from PubChem (CID 133101504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).