ethyl 2-[(6-fluoropyridine-2-carbonyl)-methylamino]acetate

C11H13FN2O3 — CID 115497697

IUPACethyl 2-[(6-fluoropyridine-2-carbonyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1cccc(F)n1
InChIInChI=1S/C11H13FN2O3/c1-3-17-10(15)7-14(2)11(16)8-5-4-6-9(12)13-8/h4-6H,3,7H2,1-2H3
InChIKeyNLCYIPKXMSECCT-UHFFFAOYSA-N
MW240.23 g/mol
LogP0.86
Rot. Bonds4

About ethyl 2-[(6-fluoropyridine-2-carbonyl)-methylamino]acetate

ethyl 2-[(6-fluoropyridine-2-carbonyl)-methylamino]acetate (PubChem CID 115497697) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is ethyl 2-[(6-fluoropyridine-2-carbonyl)-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-fluoropyridine-2-carbonyl)-methylamino]acetate
PubChem CID115497697
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Nameethyl 2-[(6-fluoropyridine-2-carbonyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1cccc(F)n1
InChIInChI=1S/C11H13FN2O3/c1-3-17-10(15)7-14(2)11(16)8-5-4-6-9(12)13-8/h4-6H,3,7H2,1-2H3
InChIKeyNLCYIPKXMSECCT-UHFFFAOYSA-N
XLogP0.86
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(6-fluoropyridine-2-carbonyl)-(2-methoxyethyl)amino]acetate
CID 115497491
N-(2-ethoxyethyl)-6-fluoro-N-methylpyridine-2-carboxamide
CID 115498047
ethyl 2-[(4-fluorobenzoyl)-methylamino]acetate
CID 54785133
3-[(6-fluoropyridine-2-carbonyl)-methylamino]propanoic acid
CID 115496358
ethyl 2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate
CID 55003335
ethyl 2-[(2-hydroxybenzoyl)-methylamino]acetate
CID 60584835
ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate
CID 54785112
ethyl 2-[(3-fluoro-4-methylbenzoyl)-methylamino]acetate
CID 55003691
ethyl 3-[(6-chloropyridine-2-carbonyl)-methylamino]propanoate
CID 62239281
ethyl 2-[methyl-(4-phenylbenzoyl)amino]acetate
CID 54785078
ethyl 2-[(4-amino-3-fluorobenzoyl)-methylamino]acetate
CID 62680799
ethyl 2-[[2-(4-fluorobenzoyl)benzoyl]-methylamino]acetate
CID 21463059

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-fluoropyridine-2-carbonyl)-methylamino]acetate?
The IUPAC name of ethyl 2-[(6-fluoropyridine-2-carbonyl)-methylamino]acetate (CID 115497697) is ethyl 2-[(6-fluoropyridine-2-carbonyl)-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(6-fluoropyridine-2-carbonyl)-methylamino]acetate?
The canonical SMILES for ethyl 2-[(6-fluoropyridine-2-carbonyl)-methylamino]acetate is CCOC(=O)CN(C)C(=O)c1cccc(F)n1.
What is the InChIKey of ethyl 2-[(6-fluoropyridine-2-carbonyl)-methylamino]acetate?
The InChIKey is NLCYIPKXMSECCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-3-17-10(15)7-14(2)11(16)8-5-4-6-9(12)13-8/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl 2-[(6-fluoropyridine-2-carbonyl)-methylamino]acetate?
ethyl 2-[(6-fluoropyridine-2-carbonyl)-methylamino]acetate has a molecular weight of 240.23 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-fluoropyridine-2-carbonyl)-methylamino]acetate is sourced from PubChem (CID 115497697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).