ethyl 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetate

C13H15FN2O3 — CID 113411906

IUPACethyl 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)c1ccc(F)cn1
InChIInChI=1S/C13H15FN2O3/c1-3-7-16(9-12(17)19-4-2)13(18)11-6-5-10(14)8-15-11/h3,5-6,8H,1,4,7,9H2,2H3
InChIKeyGYLZVGMMXUIORP-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.41
Rot. Bonds6

About ethyl 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetate

ethyl 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetate (PubChem CID 113411906) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is ethyl 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetate
PubChem CID113411906
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Nameethyl 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)c1ccc(F)cn1
InChIInChI=1S/C13H15FN2O3/c1-3-7-16(9-12(17)19-4-2)13(18)11-6-5-10(14)8-15-11/h3,5-6,8H,1,4,7,9H2,2H3
InChIKeyGYLZVGMMXUIORP-UHFFFAOYSA-N
XLogP1.41
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetic acid
CID 104638328
ethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)-prop-2-enylamino]acetate
CID 113331322
ethyl 2-[1,2-oxazole-3-carbonyl(prop-2-enyl)amino]acetate
CID 79001277
ethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate
CID 113331339
ethyl 2-[(3-fluoro-4-methylbenzoyl)-prop-2-enylamino]acetate
CID 78978449
ethyl 2-[(4-fluoro-3-methoxybenzoyl)-prop-2-enylamino]acetate
CID 81013907
ethyl 5-fluoropyridine-2-carboxylate
CID 10986675
ethyl 2-[prop-2-enyl(thiophene-3-carbonyl)amino]acetate
CID 78978395
ethyl 2-[(4-hydroxy-2-methylbenzoyl)-prop-2-enylamino]acetate
CID 103874553
ethyl 2-[(1,3-dimethylpyrazole-4-carbonyl)-prop-2-enylamino]acetate
CID 113235364
6-[bis(prop-2-enyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427357
ethyl 2-[(1-ethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate
CID 113331340

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetate?
The IUPAC name of ethyl 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetate (CID 113411906) is ethyl 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetate?
The canonical SMILES for ethyl 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetate is C=CCN(CC(=O)OCC)C(=O)c1ccc(F)cn1.
What is the InChIKey of ethyl 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetate?
The InChIKey is GYLZVGMMXUIORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-3-7-16(9-12(17)19-4-2)13(18)11-6-5-10(14)8-15-11/h3,5-6,8H,1,4,7,9H2,2H3.
What are the key properties of ethyl 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetate?
ethyl 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetate has a molecular weight of 266.27 g/mol, XLogP of 1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetate is sourced from PubChem (CID 113411906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).