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

C10H10F2INO3 — CID 133102055

IUPACethyl 4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(OC)c(C(F)F)c1I
InChIInChI=1S/C10H10F2INO3/c1-3-17-10(15)8-7(13)6(9(11)12)5(16-2)4-14-8/h4,9H,3H2,1-2H3
InChIKeyPGVMHZRXPBATJU-UHFFFAOYSA-N
MW357.09 g/mol
LogP2.81
Rot. Bonds4

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

ethyl 4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxylate (PubChem CID 133102055) has the molecular formula C10H10F2INO3 and a molecular weight of 357.09 g/mol. Its IUPAC name is ethyl 4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxylate
PubChem CID133102055
Molecular FormulaC10H10F2INO3
Molecular Weight357.09 g/mol
Exact Mass356.97
IUPAC Nameethyl 4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(OC)c(C(F)F)c1I
InChIInChI=1S/C10H10F2INO3/c1-3-17-10(15)8-7(13)6(9(11)12)5(16-2)4-14-8/h4,9H,3H2,1-2H3
InChIKeyPGVMHZRXPBATJU-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'}

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Related Compounds

4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxamide
CID 118835097
ethyl 4-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 134685125
ethyl 2-(difluoromethyl)-4-iodo-5-methoxypyridine-3-carboxylate
CID 133101504
[4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol
CID 130085739
ethyl 5-(bromomethyl)-3-(difluoromethyl)-4-iodopyridine-2-carboxylate
CID 133100568
ethyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate
CID 133103341
ethyl 3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylate
CID 133098582
ethyl 5-amino-4-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134675966
ethyl 2-[4-(difluoromethyl)-5-methoxy-2-methyl-3-pyridinyl]acetate
CID 133100321
4-(difluoromethyl)-3-fluoro-5-methoxypyridine-2-carboxamide
CID 118852090
methyl 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carboxylate
CID 133103469
4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbonyl chloride
CID 118806978

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxylate?
The IUPAC name of ethyl 4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxylate (CID 133102055) is ethyl 4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxylate?
The canonical SMILES for ethyl 4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxylate is CCOC(=O)c1ncc(OC)c(C(F)F)c1I.
What is the InChIKey of ethyl 4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxylate?
The InChIKey is PGVMHZRXPBATJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2INO3/c1-3-17-10(15)8-7(13)6(9(11)12)5(16-2)4-14-8/h4,9H,3H2,1-2H3.
What are the key properties of ethyl 4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxylate?
ethyl 4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-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 4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxylate is sourced from PubChem (CID 133102055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).