methyl 6-amino-5-(4,4-difluoropyrrolidin-3-yl)oxypyridine-3-carboxylate;hydrochloride

C11H14ClF2N3O3 — CID 118868288

IUPACmethyl 6-amino-5-(4,4-difluoropyrrolidin-3-yl)oxypyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1cnc(N)c(OC2CNCC2(F)F)c1.Cl
InChIInChI=1S/C11H13F2N3O3.ClH/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);1H
InChIKeyHPTIVYRFWJXDAD-UHFFFAOYSA-N
MW309.70 g/mol
LogP0.86
Rot. Bonds3

About methyl 6-amino-5-(4,4-difluoropyrrolidin-3-yl)oxypyridine-3-carboxylate;hydrochloride

methyl 6-amino-5-(4,4-difluoropyrrolidin-3-yl)oxypyridine-3-carboxylate;hydrochloride (PubChem CID 118868288) has the molecular formula C11H14ClF2N3O3 and a molecular weight of 309.70 g/mol. Its IUPAC name is methyl 6-amino-5-(4,4-difluoropyrrolidin-3-yl)oxypyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 6-amino-5-(4,4-difluoropyrrolidin-3-yl)oxypyridine-3-carboxylate;hydrochloride
PubChem CID118868288
Molecular FormulaC11H14ClF2N3O3
Molecular Weight309.70 g/mol
Exact Mass309.07
IUPAC Namemethyl 6-amino-5-(4,4-difluoropyrrolidin-3-yl)oxypyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1cnc(N)c(OC2CNCC2(F)F)c1.Cl
InChIInChI=1S/C11H13F2N3O3.ClH/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);1H
InChIKeyHPTIVYRFWJXDAD-UHFFFAOYSA-N
XLogP0.86
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.70
LogP ≤ 50.86
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-(4,4-difluoropyrrolidin-3-yl)oxypyridine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 6-amino-5-(4,4-difluoropyrrolidin-3-yl)oxypyridine-3-carboxylate;hydrochloride (CID 118868288) is methyl 6-amino-5-(4,4-difluoropyrrolidin-3-yl)oxypyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 6-amino-5-(4,4-difluoropyrrolidin-3-yl)oxypyridine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 6-amino-5-(4,4-difluoropyrrolidin-3-yl)oxypyridine-3-carboxylate;hydrochloride is COC(=O)c1cnc(N)c(OC2CNCC2(F)F)c1.Cl.
What is the InChIKey of methyl 6-amino-5-(4,4-difluoropyrrolidin-3-yl)oxypyridine-3-carboxylate;hydrochloride?
The InChIKey is HPTIVYRFWJXDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O3.ClH/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);1H.
What are the key properties of methyl 6-amino-5-(4,4-difluoropyrrolidin-3-yl)oxypyridine-3-carboxylate;hydrochloride?
methyl 6-amino-5-(4,4-difluoropyrrolidin-3-yl)oxypyridine-3-carboxylate;hydrochloride has a molecular weight of 309.70 g/mol, XLogP of 0.86, 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-(4,4-difluoropyrrolidin-3-yl)oxypyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 118868288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).