methyl 2-amino-6-(3,3-difluorobutoxy)pyridine-3-carboxylate

C11H14F2N2O3 — CID 154664795

IUPACmethyl 2-amino-6-(3,3-difluorobutoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OCCC(C)(F)F)nc1N
InChIInChI=1S/C11H14F2N2O3/c1-11(12,13)5-6-18-8-4-3-7(9(14)15-8)10(16)17-2/h3-4H,5-6H2,1-2H3,(H2,14,15)
InChIKeyAALILGGRHOTAMT-UHFFFAOYSA-N
MW260.24 g/mol
LogP1.87
Rot. Bonds5

About methyl 2-amino-6-(3,3-difluorobutoxy)pyridine-3-carboxylate

methyl 2-amino-6-(3,3-difluorobutoxy)pyridine-3-carboxylate (PubChem CID 154664795) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is methyl 2-amino-6-(3,3-difluorobutoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-6-(3,3-difluorobutoxy)pyridine-3-carboxylate
PubChem CID154664795
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Namemethyl 2-amino-6-(3,3-difluorobutoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OCCC(C)(F)F)nc1N
InChIInChI=1S/C11H14F2N2O3/c1-11(12,13)5-6-18-8-4-3-7(9(14)15-8)10(16)17-2/h3-4H,5-6H2,1-2H3,(H2,14,15)
InChIKeyAALILGGRHOTAMT-UHFFFAOYSA-N
XLogP1.87
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-difluorobutan-1-ol;methyl 2-amino-6-(3,3-difluorobutoxy)pyridine-3-carboxylate;methyl 2-amino-6-oxo-1H-pyridine-3-carboxylate
CID 164993694
methyl 2-amino-6-(2,2-difluorobut-3-enoxy)pyridine-3-carboxylate
CID 162607042
ethyl 2-amino-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 171028932
methyl 4-amino-2-(3,3-dimethylbutoxy)benzoate
CID 106955056
1-(2-amino-6-methoxy-3-pyridinyl)-2,2,2-trifluoroethanone
CID 91337264
methyl 2-amino-6-oxo-1H-pyridine-3-carboxylate;methyl 2-amino-6-phenylmethoxypyridine-3-carboxylate
CID 165100400
ethane;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate
CID 156850074
methyl 2-chloro-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 171029052
methyl 4-amino-2-(2,2-dimethylpropyl)pyrimidine-5-carboxylate
CID 116646618
methyl 2-amino-6-(formamidomethyl)pyridine-3-carboxylate
CID 156808956
ethane;methyl 2-amino-4-(1,1-difluoroethyl)benzoate
CID 143307075
methyl 2-amino-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylate
CID 176851869

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-(3,3-difluorobutoxy)pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-6-(3,3-difluorobutoxy)pyridine-3-carboxylate (CID 154664795) is methyl 2-amino-6-(3,3-difluorobutoxy)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-6-(3,3-difluorobutoxy)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-6-(3,3-difluorobutoxy)pyridine-3-carboxylate is COC(=O)c1ccc(OCCC(C)(F)F)nc1N.
What is the InChIKey of methyl 2-amino-6-(3,3-difluorobutoxy)pyridine-3-carboxylate?
The InChIKey is AALILGGRHOTAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-11(12,13)5-6-18-8-4-3-7(9(14)15-8)10(16)17-2/h3-4H,5-6H2,1-2H3,(H2,14,15).
What are the key properties of methyl 2-amino-6-(3,3-difluorobutoxy)pyridine-3-carboxylate?
methyl 2-amino-6-(3,3-difluorobutoxy)pyridine-3-carboxylate has a molecular weight of 260.24 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-(3,3-difluorobutoxy)pyridine-3-carboxylate is sourced from PubChem (CID 154664795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).