methyl 6-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate

C19H18F3NO5 — CID 70655263

IUPACmethyl 6-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ccc(F)c(-c2c(F)ccc(OCC3COC(C)(C)O3)c2F)n1
InChIInChI=1S/C19H18F3NO5/c1-19(2)27-9-10(28-19)8-26-14-7-5-11(20)15(16(14)22)17-12(21)4-6-13(23-17)18(24)25-3/h4-7,10H,8-9H2,1-3H3
InChIKeyZVGSOYCEXFZSSY-UHFFFAOYSA-N
MW397.35 g/mol
LogP3.48
Rot. Bonds5

About methyl 6-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate

methyl 6-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate (PubChem CID 70655263) has the molecular formula C19H18F3NO5 and a molecular weight of 397.35 g/mol. Its IUPAC name is methyl 6-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate
PubChem CID70655263
Molecular FormulaC19H18F3NO5
Molecular Weight397.35 g/mol
Exact Mass397.11
IUPAC Namemethyl 6-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ccc(F)c(-c2c(F)ccc(OCC3COC(C)(C)O3)c2F)n1
InChIInChI=1S/C19H18F3NO5/c1-19(2)27-9-10(28-19)8-26-14-7-5-11(20)15(16(14)22)17-12(21)4-6-13(23-17)18(24)25-3/h4-7,10H,8-9H2,1-3H3
InChIKeyZVGSOYCEXFZSSY-UHFFFAOYSA-N
XLogP3.48
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 6-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate (CID 70655263) is methyl 6-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 6-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate is COC(=O)c1ccc(F)c(-c2c(F)ccc(OCC3COC(C)(C)O3)c2F)n1.
What is the InChIKey of methyl 6-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate?
The InChIKey is ZVGSOYCEXFZSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO5/c1-19(2)27-9-10(28-19)8-26-14-7-5-11(20)15(16(14)22)17-12(21)4-6-13(23-17)18(24)25-3/h4-7,10H,8-9H2,1-3H3.
What are the key properties of methyl 6-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate?
methyl 6-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate has a molecular weight of 397.35 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 70655263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).