methyl 6-[4-(2-ethoxyethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate

C17H16F3NO4 — CID 70655294

IUPACmethyl 6-[4-(2-ethoxyethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate
SMILESCCOCCOc1cc(F)c(-c2nc(C(=O)OC)ccc2F)c(F)c1
InChIInChI=1S/C17H16F3NO4/c1-3-24-6-7-25-10-8-12(19)15(13(20)9-10)16-11(18)4-5-14(21-16)17(22)23-2/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyADKKCYGNXPNCAG-UHFFFAOYSA-N
MW355.31 g/mol
LogP3.37
Rot. Bonds7

About methyl 6-[4-(2-ethoxyethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate

methyl 6-[4-(2-ethoxyethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate (PubChem CID 70655294) has the molecular formula C17H16F3NO4 and a molecular weight of 355.31 g/mol. Its IUPAC name is methyl 6-[4-(2-ethoxyethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-(2-ethoxyethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate
PubChem CID70655294
Molecular FormulaC17H16F3NO4
Molecular Weight355.31 g/mol
Exact Mass355.10
IUPAC Namemethyl 6-[4-(2-ethoxyethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate
SMILESCCOCCOc1cc(F)c(-c2nc(C(=O)OC)ccc2F)c(F)c1
InChIInChI=1S/C17H16F3NO4/c1-3-24-6-7-25-10-8-12(19)15(13(20)9-10)16-11(18)4-5-14(21-16)17(22)23-2/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyADKKCYGNXPNCAG-UHFFFAOYSA-N
XLogP3.37
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate
CID 66652485
methyl 6-[2,6-difluoro-4-(2-methoxy-2-methylpropoxy)phenyl]-5-fluoropyridine-2-carboxylate
CID 70655100
methyl 6-[2,6-difluoro-4-(hydroxymethyl)phenyl]-5-fluoropyridine-2-carboxylate
CID 70654789
methyl 6-[2,6-difluoro-3-(2-oxopropyl)phenyl]-5-fluoropyridine-2-carboxylate
CID 160623655
methyl 6-[2,6-difluoro-4-(4-fluorooxan-4-yl)phenyl]-5-fluoropyridine-2-carboxylate
CID 70654920
methyl 5-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
CID 134636661
methyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate
CID 130063891
dimethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 73212602
methyl 5-(2-methoxyethoxy)pyridine-2-carboxylate
CID 66665588
ethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate
CID 176560584
dimethyl 5-[2-[2-[2-[3,5-bis(methoxycarbonyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene-1,3-dicarboxylate
CID 57387038
6-(2,6-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate
CID 86670160

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-(2-ethoxyethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 6-[4-(2-ethoxyethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate (CID 70655294) is methyl 6-[4-(2-ethoxyethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[4-(2-ethoxyethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 6-[4-(2-ethoxyethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate is CCOCCOc1cc(F)c(-c2nc(C(=O)OC)ccc2F)c(F)c1.
What is the InChIKey of methyl 6-[4-(2-ethoxyethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate?
The InChIKey is ADKKCYGNXPNCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO4/c1-3-24-6-7-25-10-8-12(19)15(13(20)9-10)16-11(18)4-5-14(21-16)17(22)23-2/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of methyl 6-[4-(2-ethoxyethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate?
methyl 6-[4-(2-ethoxyethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate has a molecular weight of 355.31 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-(2-ethoxyethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 70655294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).