6-[2,6-difluoro-4-(oxan-3-yloxy)phenyl]-5-fluoropyridine-2-carboxamide

C17H15F3N2O3 — CID 175826255

IUPAC6-[2,6-difluoro-4-(oxan-3-yloxy)phenyl]-5-fluoropyridine-2-carboxamide
SMILESNC(=O)c1ccc(F)c(-c2c(F)cc(OC3CCCOC3)cc2F)n1
InChIInChI=1S/C17H15F3N2O3/c18-11-3-4-14(17(21)23)22-16(11)15-12(19)6-10(7-13(15)20)25-9-2-1-5-24-8-9/h3-4,6-7,9H,1-2,5,8H2,(H2,21,23)
InChIKeyUKSDJCWWBSXDRA-UHFFFAOYSA-N
MW352.31 g/mol
LogP2.82
Rot. Bonds4

About 6-[2,6-difluoro-4-(oxan-3-yloxy)phenyl]-5-fluoropyridine-2-carboxamide

6-[2,6-difluoro-4-(oxan-3-yloxy)phenyl]-5-fluoropyridine-2-carboxamide (PubChem CID 175826255) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is 6-[2,6-difluoro-4-(oxan-3-yloxy)phenyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound Name6-[2,6-difluoro-4-(oxan-3-yloxy)phenyl]-5-fluoropyridine-2-carboxamide
PubChem CID175826255
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC Name6-[2,6-difluoro-4-(oxan-3-yloxy)phenyl]-5-fluoropyridine-2-carboxamide
SMILESNC(=O)c1ccc(F)c(-c2c(F)cc(OC3CCCOC3)cc2F)n1
InChIInChI=1S/C17H15F3N2O3/c18-11-3-4-14(17(21)23)22-16(11)15-12(19)6-10(7-13(15)20)25-9-2-1-5-24-8-9/h3-4,6-7,9H,1-2,5,8H2,(H2,21,23)
InChIKeyUKSDJCWWBSXDRA-UHFFFAOYSA-N
XLogP2.82
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-[2,6-difluoro-4-(oxan-3-yloxy)phenyl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of 6-[2,6-difluoro-4-(oxan-3-yloxy)phenyl]-5-fluoropyridine-2-carboxamide (CID 175826255) is 6-[2,6-difluoro-4-(oxan-3-yloxy)phenyl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for 6-[2,6-difluoro-4-(oxan-3-yloxy)phenyl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for 6-[2,6-difluoro-4-(oxan-3-yloxy)phenyl]-5-fluoropyridine-2-carboxamide is NC(=O)c1ccc(F)c(-c2c(F)cc(OC3CCCOC3)cc2F)n1.
What is the InChIKey of 6-[2,6-difluoro-4-(oxan-3-yloxy)phenyl]-5-fluoropyridine-2-carboxamide?
The InChIKey is UKSDJCWWBSXDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c18-11-3-4-14(17(21)23)22-16(11)15-12(19)6-10(7-13(15)20)25-9-2-1-5-24-8-9/h3-4,6-7,9H,1-2,5,8H2,(H2,21,23).
What are the key properties of 6-[2,6-difluoro-4-(oxan-3-yloxy)phenyl]-5-fluoropyridine-2-carboxamide?
6-[2,6-difluoro-4-(oxan-3-yloxy)phenyl]-5-fluoropyridine-2-carboxamide has a molecular weight of 352.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-difluoro-4-(oxan-3-yloxy)phenyl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 175826255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).