methyl 6-[(2-amino-6-fluorophenoxy)methyl]pyridine-3-carboxylate

C14H13FN2O3 — CID 104831209

IUPACmethyl 6-[(2-amino-6-fluorophenoxy)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(COc2c(N)cccc2F)nc1
InChIInChI=1S/C14H13FN2O3/c1-19-14(18)9-5-6-10(17-7-9)8-20-13-11(15)3-2-4-12(13)16/h2-7H,8,16H2,1H3
InChIKeyXWIJQYNXEYJAKF-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.17
Rot. Bonds4

About methyl 6-[(2-amino-6-fluorophenoxy)methyl]pyridine-3-carboxylate

methyl 6-[(2-amino-6-fluorophenoxy)methyl]pyridine-3-carboxylate (PubChem CID 104831209) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is methyl 6-[(2-amino-6-fluorophenoxy)methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-amino-6-fluorophenoxy)methyl]pyridine-3-carboxylate
PubChem CID104831209
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Namemethyl 6-[(2-amino-6-fluorophenoxy)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(COc2c(N)cccc2F)nc1
InChIInChI=1S/C14H13FN2O3/c1-19-14(18)9-5-6-10(17-7-9)8-20-13-11(15)3-2-4-12(13)16/h2-7H,8,16H2,1H3
InChIKeyXWIJQYNXEYJAKF-UHFFFAOYSA-N
XLogP2.17
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-(acetyloxymethyl)pyridine-3-carboxylate
CID 10353032
methyl 6-[[2-fluoro-4-(hydroxymethyl)phenoxy]methyl]pyridine-3-carboxylate
CID 107690536
methyl 6-[[3-(3-hydroxy-2-methylphenyl)-2-methylphenoxy]methyl]pyridine-3-carboxylate
CID 162377279
methyl 6-(3-aminopropyl)pyridine-3-carboxylate
CID 57039015
methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate
CID 83214326
methyl 6-[(3-amino-5-bromophenoxy)methyl]pyridine-3-carboxylate
CID 103588331
methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362
methyl 6-[(4-oxocyclohexyl)oxymethyl]pyridine-3-carboxylate
CID 113414185
ethane;methyl 6-[(3-fluorophenyl)methyl]pyridine-3-carboxylate
CID 91575193
methyl 2-amino-6-[(2-chloro-6-fluorophenoxy)methyl]benzoate
CID 104825565
methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate
CID 58368225

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-amino-6-fluorophenoxy)methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(2-amino-6-fluorophenoxy)methyl]pyridine-3-carboxylate (CID 104831209) is methyl 6-[(2-amino-6-fluorophenoxy)methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(2-amino-6-fluorophenoxy)methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(2-amino-6-fluorophenoxy)methyl]pyridine-3-carboxylate is COC(=O)c1ccc(COc2c(N)cccc2F)nc1.
What is the InChIKey of methyl 6-[(2-amino-6-fluorophenoxy)methyl]pyridine-3-carboxylate?
The InChIKey is XWIJQYNXEYJAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-19-14(18)9-5-6-10(17-7-9)8-20-13-11(15)3-2-4-12(13)16/h2-7H,8,16H2,1H3.
What are the key properties of methyl 6-[(2-amino-6-fluorophenoxy)methyl]pyridine-3-carboxylate?
methyl 6-[(2-amino-6-fluorophenoxy)methyl]pyridine-3-carboxylate has a molecular weight of 276.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-amino-6-fluorophenoxy)methyl]pyridine-3-carboxylate is sourced from PubChem (CID 104831209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).