ethyl 4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylate

C10H10F2INO3 — CID 133102147

IUPACethyl 4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)c(I)c(OC)n1
InChIInChI=1S/C10H10F2INO3/c1-3-17-10(15)6-4-5(8(11)12)7(13)9(14-6)16-2/h4,8H,3H2,1-2H3
InChIKeyLZVDTWKUAPCOCD-UHFFFAOYSA-N
MW357.09 g/mol
LogP2.81
Rot. Bonds4

About ethyl 4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylate

ethyl 4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylate (PubChem CID 133102147) has the molecular formula C10H10F2INO3 and a molecular weight of 357.09 g/mol. Its IUPAC name is ethyl 4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylate
PubChem CID133102147
Molecular FormulaC10H10F2INO3
Molecular Weight357.09 g/mol
Exact Mass356.97
IUPAC Nameethyl 4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)c(I)c(OC)n1
InChIInChI=1S/C10H10F2INO3/c1-3-17-10(15)6-4-5(8(11)12)7(13)9(14-6)16-2/h4,8H,3H2,1-2H3
InChIKeyLZVDTWKUAPCOCD-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

ethyl 4-(difluoromethyl)-5,6-diiodopyridine-2-carboxylate
CID 134671919
ethyl 5-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate
CID 134685121
4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylic acid
CID 118818405
ethyl 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylate
CID 133100416
ethyl 5-(difluoromethyl)-6-iodo-2-methoxypyridine-3-carboxylate
CID 133102129
ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 133085207
ethyl 5-(aminomethyl)-6-bromo-4-(difluoromethyl)pyridine-2-carboxylate
CID 134675985
ethyl 5-cyano-4-(difluoromethyl)-6-iodopyridine-2-carboxylate
CID 134684272
methyl 6-amino-4-(difluoromethyl)-5-iodopyridine-2-carboxylate
CID 130105555
ethyl 5-(difluoromethyl)-2-fluoro-6-methoxypyridine-3-carboxylate
CID 133105613
methyl 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylate
CID 134669232
ethyl 4-(difluoromethyl)-2-iodo-6-methoxypyridine-3-carboxylate
CID 133102053

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylate?
The IUPAC name of ethyl 4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylate (CID 133102147) is ethyl 4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylate?
The canonical SMILES for ethyl 4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylate is CCOC(=O)c1cc(C(F)F)c(I)c(OC)n1.
What is the InChIKey of ethyl 4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylate?
The InChIKey is LZVDTWKUAPCOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2INO3/c1-3-17-10(15)6-4-5(8(11)12)7(13)9(14-6)16-2/h4,8H,3H2,1-2H3.
What are the key properties of ethyl 4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylate?
ethyl 4-(difluoromethyl)-5-iodo-6-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)-5-iodo-6-methoxypyridine-2-carboxylate is sourced from PubChem (CID 133102147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).