methyl 6-[2,6-difluoro-4-[(3R)-oxan-3-yl]oxyphenyl]-5-fluoropyridine-2-carboxylate

C18H16F3NO4 — CID 70655804

IUPACmethyl 6-[2,6-difluoro-4-[(3R)-oxan-3-yl]oxyphenyl]-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ccc(F)c(-c2c(F)cc(O[C@@H]3CCCOC3)cc2F)n1
InChIInChI=1S/C18H16F3NO4/c1-24-18(23)15-5-4-12(19)17(22-15)16-13(20)7-11(8-14(16)21)26-10-3-2-6-25-9-10/h4-5,7-8,10H,2-3,6,9H2,1H3/t10-/m1/s1
InChIKeyIRQNGSRWKMPZPH-SNVBAGLBSA-N
MW367.32 g/mol
LogP3.51
Rot. Bonds4

About methyl 6-[2,6-difluoro-4-[(3R)-oxan-3-yl]oxyphenyl]-5-fluoropyridine-2-carboxylate

methyl 6-[2,6-difluoro-4-[(3R)-oxan-3-yl]oxyphenyl]-5-fluoropyridine-2-carboxylate (PubChem CID 70655804) has the molecular formula C18H16F3NO4 and a molecular weight of 367.32 g/mol. Its IUPAC name is methyl 6-[2,6-difluoro-4-[(3R)-oxan-3-yl]oxyphenyl]-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2,6-difluoro-4-[(3R)-oxan-3-yl]oxyphenyl]-5-fluoropyridine-2-carboxylate
PubChem CID70655804
Molecular FormulaC18H16F3NO4
Molecular Weight367.32 g/mol
Exact Mass367.10
IUPAC Namemethyl 6-[2,6-difluoro-4-[(3R)-oxan-3-yl]oxyphenyl]-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ccc(F)c(-c2c(F)cc(O[C@@H]3CCCOC3)cc2F)n1
InChIInChI=1S/C18H16F3NO4/c1-24-18(23)15-5-4-12(19)17(22-15)16-13(20)7-11(8-14(16)21)26-10-3-2-6-25-9-10/h4-5,7-8,10H,2-3,6,9H2,1H3/t10-/m1/s1
InChIKeyIRQNGSRWKMPZPH-SNVBAGLBSA-N
XLogP3.51
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[2,6-difluoro-4-[(3R)-oxan-3-yl]oxyphenyl]-5-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 6-[2,6-difluoro-4-[(3R)-oxan-3-yl]oxyphenyl]-5-fluoropyridine-2-carboxylate (CID 70655804) is methyl 6-[2,6-difluoro-4-[(3R)-oxan-3-yl]oxyphenyl]-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[2,6-difluoro-4-[(3R)-oxan-3-yl]oxyphenyl]-5-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 6-[2,6-difluoro-4-[(3R)-oxan-3-yl]oxyphenyl]-5-fluoropyridine-2-carboxylate is COC(=O)c1ccc(F)c(-c2c(F)cc(O[C@@H]3CCCOC3)cc2F)n1.
What is the InChIKey of methyl 6-[2,6-difluoro-4-[(3R)-oxan-3-yl]oxyphenyl]-5-fluoropyridine-2-carboxylate?
The InChIKey is IRQNGSRWKMPZPH-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H16F3NO4/c1-24-18(23)15-5-4-12(19)17(22-15)16-13(20)7-11(8-14(16)21)26-10-3-2-6-25-9-10/h4-5,7-8,10H,2-3,6,9H2,1H3/t10-/m1/s1.
What are the key properties of methyl 6-[2,6-difluoro-4-[(3R)-oxan-3-yl]oxyphenyl]-5-fluoropyridine-2-carboxylate?
methyl 6-[2,6-difluoro-4-[(3R)-oxan-3-yl]oxyphenyl]-5-fluoropyridine-2-carboxylate has a molecular weight of 367.32 g/mol, XLogP of 3.51, 4 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-[(3R)-oxan-3-yl]oxyphenyl]-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 70655804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).