methyl 6-amino-5-[(3S)-4,4-difluoropyrrolidin-3-yl]oxypyridine-3-carboxylate

C11H13F2N3O3 — CID 118868291

IUPACmethyl 6-amino-5-[(3S)-4,4-difluoropyrrolidin-3-yl]oxypyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N)c(O[C@H]2CNCC2(F)F)c1
InChIInChI=1S/C11H13F2N3O3/c1-18-10(17)6-2-7(9(14)16-3-6)19-8-4-15-5-11(8,12)13/h2-3,8,15H,4-5H2,1H3,(H2,14,16)/t8-/m0/s1
InChIKeyCUGVWRMMJJBWLU-QMMMGPOBSA-N
MW273.24 g/mol
LogP0.44
Rot. Bonds3

About methyl 6-amino-5-[(3S)-4,4-difluoropyrrolidin-3-yl]oxypyridine-3-carboxylate

methyl 6-amino-5-[(3S)-4,4-difluoropyrrolidin-3-yl]oxypyridine-3-carboxylate (PubChem CID 118868291) has the molecular formula C11H13F2N3O3 and a molecular weight of 273.24 g/mol. Its IUPAC name is methyl 6-amino-5-[(3S)-4,4-difluoropyrrolidin-3-yl]oxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-[(3S)-4,4-difluoropyrrolidin-3-yl]oxypyridine-3-carboxylate
PubChem CID118868291
Molecular FormulaC11H13F2N3O3
Molecular Weight273.24 g/mol
Exact Mass273.09
IUPAC Namemethyl 6-amino-5-[(3S)-4,4-difluoropyrrolidin-3-yl]oxypyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N)c(O[C@H]2CNCC2(F)F)c1
InChIInChI=1S/C11H13F2N3O3/c1-18-10(17)6-2-7(9(14)16-3-6)19-8-4-15-5-11(8,12)13/h2-3,8,15H,4-5H2,1H3,(H2,14,16)/t8-/m0/s1
InChIKeyCUGVWRMMJJBWLU-QMMMGPOBSA-N
XLogP0.44
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-[(3S)-4,4-difluoropyrrolidin-3-yl]oxypyridine-3-carboxylate?
The IUPAC name of methyl 6-amino-5-[(3S)-4,4-difluoropyrrolidin-3-yl]oxypyridine-3-carboxylate (CID 118868291) is methyl 6-amino-5-[(3S)-4,4-difluoropyrrolidin-3-yl]oxypyridine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-5-[(3S)-4,4-difluoropyrrolidin-3-yl]oxypyridine-3-carboxylate?
The canonical SMILES for methyl 6-amino-5-[(3S)-4,4-difluoropyrrolidin-3-yl]oxypyridine-3-carboxylate is COC(=O)c1cnc(N)c(O[C@H]2CNCC2(F)F)c1.
What is the InChIKey of methyl 6-amino-5-[(3S)-4,4-difluoropyrrolidin-3-yl]oxypyridine-3-carboxylate?
The InChIKey is CUGVWRMMJJBWLU-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13F2N3O3/c1-18-10(17)6-2-7(9(14)16-3-6)19-8-4-15-5-11(8,12)13/h2-3,8,15H,4-5H2,1H3,(H2,14,16)/t8-/m0/s1.
What are the key properties of methyl 6-amino-5-[(3S)-4,4-difluoropyrrolidin-3-yl]oxypyridine-3-carboxylate?
methyl 6-amino-5-[(3S)-4,4-difluoropyrrolidin-3-yl]oxypyridine-3-carboxylate has a molecular weight of 273.24 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-[(3S)-4,4-difluoropyrrolidin-3-yl]oxypyridine-3-carboxylate is sourced from PubChem (CID 118868291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).