methyl 2-amino-6-(2,2-difluorobut-3-enoxy)pyridine-3-carboxylate

C11H12F2N2O3 — CID 162607042

IUPACmethyl 2-amino-6-(2,2-difluorobut-3-enoxy)pyridine-3-carboxylate
SMILESC=CC(F)(F)COc1ccc(C(=O)OC)c(N)n1
InChIInChI=1S/C11H12F2N2O3/c1-3-11(12,13)6-18-8-5-4-7(9(14)15-8)10(16)17-2/h3-5H,1,6H2,2H3,(H2,14,15)
InChIKeyOAWSWPFWVUVAGL-UHFFFAOYSA-N
MW258.22 g/mol
LogP1.65
Rot. Bonds5

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

methyl 2-amino-6-(2,2-difluorobut-3-enoxy)pyridine-3-carboxylate (PubChem CID 162607042) has the molecular formula C11H12F2N2O3 and a molecular weight of 258.22 g/mol. Its IUPAC name is methyl 2-amino-6-(2,2-difluorobut-3-enoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-6-(2,2-difluorobut-3-enoxy)pyridine-3-carboxylate
PubChem CID162607042
Molecular FormulaC11H12F2N2O3
Molecular Weight258.22 g/mol
Exact Mass258.08
IUPAC Namemethyl 2-amino-6-(2,2-difluorobut-3-enoxy)pyridine-3-carboxylate
SMILESC=CC(F)(F)COc1ccc(C(=O)OC)c(N)n1
InChIInChI=1S/C11H12F2N2O3/c1-3-11(12,13)6-18-8-5-4-7(9(14)15-8)10(16)17-2/h3-5H,1,6H2,2H3,(H2,14,15)
InChIKeyOAWSWPFWVUVAGL-UHFFFAOYSA-N
XLogP1.65
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-6-(3,3-difluorobutoxy)pyridine-3-carboxylate
CID 154664795
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
ethyl 2-amino-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 171028932
1-(2-amino-6-methoxy-3-pyridinyl)-2,2,2-trifluoroethanone
CID 91337264
methyl 2-amino-6-(formamidomethyl)pyridine-3-carboxylate
CID 156808956
methyl 2-amino-6-oxo-1H-pyridine-3-carboxylate;methyl 2-amino-6-phenylmethoxypyridine-3-carboxylate
CID 165100400
methyl 2-chloro-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 171029052
ethane;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate
CID 156850074
methyl 2-amino-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylate
CID 176851869
methyl 4-amino-2-(2,2-dimethylpropyl)pyrimidine-5-carboxylate
CID 116646618
methyl 2-amino-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 171028893
methyl 2-amino-8-fluoroquinoline-3-carboxylate
CID 135392236

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-(2,2-difluorobut-3-enoxy)pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-6-(2,2-difluorobut-3-enoxy)pyridine-3-carboxylate (CID 162607042) is methyl 2-amino-6-(2,2-difluorobut-3-enoxy)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-6-(2,2-difluorobut-3-enoxy)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-6-(2,2-difluorobut-3-enoxy)pyridine-3-carboxylate is C=CC(F)(F)COc1ccc(C(=O)OC)c(N)n1.
What is the InChIKey of methyl 2-amino-6-(2,2-difluorobut-3-enoxy)pyridine-3-carboxylate?
The InChIKey is OAWSWPFWVUVAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3/c1-3-11(12,13)6-18-8-5-4-7(9(14)15-8)10(16)17-2/h3-5H,1,6H2,2H3,(H2,14,15).
What are the key properties of methyl 2-amino-6-(2,2-difluorobut-3-enoxy)pyridine-3-carboxylate?
methyl 2-amino-6-(2,2-difluorobut-3-enoxy)pyridine-3-carboxylate has a molecular weight of 258.22 g/mol, XLogP of 1.65, 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-(2,2-difluorobut-3-enoxy)pyridine-3-carboxylate is sourced from PubChem (CID 162607042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).