methyl 6-[2,6-difluoro-4-(2-methoxy-2-methylpropoxy)phenyl]-5-fluoropyridine-2-carboxylate

C18H18F3NO4 — CID 70655100

IUPACmethyl 6-[2,6-difluoro-4-(2-methoxy-2-methylpropoxy)phenyl]-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ccc(F)c(-c2c(F)cc(OCC(C)(C)OC)cc2F)n1
InChIInChI=1S/C18H18F3NO4/c1-18(2,25-4)9-26-10-7-12(20)15(13(21)8-10)16-11(19)5-6-14(22-16)17(23)24-3/h5-8H,9H2,1-4H3
InChIKeyQGRPXMAOMVNJAL-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.76
Rot. Bonds6

About methyl 6-[2,6-difluoro-4-(2-methoxy-2-methylpropoxy)phenyl]-5-fluoropyridine-2-carboxylate

methyl 6-[2,6-difluoro-4-(2-methoxy-2-methylpropoxy)phenyl]-5-fluoropyridine-2-carboxylate (PubChem CID 70655100) has the molecular formula C18H18F3NO4 and a molecular weight of 369.34 g/mol. Its IUPAC name is methyl 6-[2,6-difluoro-4-(2-methoxy-2-methylpropoxy)phenyl]-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2,6-difluoro-4-(2-methoxy-2-methylpropoxy)phenyl]-5-fluoropyridine-2-carboxylate
PubChem CID70655100
Molecular FormulaC18H18F3NO4
Molecular Weight369.34 g/mol
Exact Mass369.12
IUPAC Namemethyl 6-[2,6-difluoro-4-(2-methoxy-2-methylpropoxy)phenyl]-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ccc(F)c(-c2c(F)cc(OCC(C)(C)OC)cc2F)n1
InChIInChI=1S/C18H18F3NO4/c1-18(2,25-4)9-26-10-7-12(20)15(13(21)8-10)16-11(19)5-6-14(22-16)17(23)24-3/h5-8H,9H2,1-4H3
InChIKeyQGRPXMAOMVNJAL-UHFFFAOYSA-N
XLogP3.76
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[2,6-difluoro-4-(hydroxymethyl)phenyl]-5-fluoropyridine-2-carboxylate
CID 70654789
methyl 6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate
CID 66652485
methyl 6-[4-(2-ethoxyethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate
CID 70655294
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
6-[2,6-difluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-5-fluoropyridine-2-carboxylic acid
CID 70654818
methyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate
CID 130063891
6-[4-(cyclopropylmethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylic acid
CID 70654787
methyl 6-(2,2,2-trifluoroethoxy)quinoline-2-carboxylate
CID 102941448
ethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate
CID 176560584
methyl 6-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate
CID 70655263

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2,6-difluoro-4-(2-methoxy-2-methylpropoxy)phenyl]-5-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 6-[2,6-difluoro-4-(2-methoxy-2-methylpropoxy)phenyl]-5-fluoropyridine-2-carboxylate (CID 70655100) is methyl 6-[2,6-difluoro-4-(2-methoxy-2-methylpropoxy)phenyl]-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[2,6-difluoro-4-(2-methoxy-2-methylpropoxy)phenyl]-5-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 6-[2,6-difluoro-4-(2-methoxy-2-methylpropoxy)phenyl]-5-fluoropyridine-2-carboxylate is COC(=O)c1ccc(F)c(-c2c(F)cc(OCC(C)(C)OC)cc2F)n1.
What is the InChIKey of methyl 6-[2,6-difluoro-4-(2-methoxy-2-methylpropoxy)phenyl]-5-fluoropyridine-2-carboxylate?
The InChIKey is QGRPXMAOMVNJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO4/c1-18(2,25-4)9-26-10-7-12(20)15(13(21)8-10)16-11(19)5-6-14(22-16)17(23)24-3/h5-8H,9H2,1-4H3.
What are the key properties of methyl 6-[2,6-difluoro-4-(2-methoxy-2-methylpropoxy)phenyl]-5-fluoropyridine-2-carboxylate?
methyl 6-[2,6-difluoro-4-(2-methoxy-2-methylpropoxy)phenyl]-5-fluoropyridine-2-carboxylate has a molecular weight of 369.34 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2,6-difluoro-4-(2-methoxy-2-methylpropoxy)phenyl]-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 70655100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).