methyl 2-[(2-fluoropyridine-4-carbonyl)amino]acetate

C9H9FN2O3 — CID 61292675

IUPACmethyl 2-[(2-fluoropyridine-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccnc(F)c1
InChIInChI=1S/C9H9FN2O3/c1-15-8(13)5-12-9(14)6-2-3-11-7(10)4-6/h2-4H,5H2,1H3,(H,12,14)
InChIKeyPQFUEZCSCQIONA-UHFFFAOYSA-N
MW212.18 g/mol
LogP0.12
Rot. Bonds3

About methyl 2-[(2-fluoropyridine-4-carbonyl)amino]acetate

methyl 2-[(2-fluoropyridine-4-carbonyl)amino]acetate (PubChem CID 61292675) has the molecular formula C9H9FN2O3 and a molecular weight of 212.18 g/mol. Its IUPAC name is methyl 2-[(2-fluoropyridine-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-fluoropyridine-4-carbonyl)amino]acetate
PubChem CID61292675
Molecular FormulaC9H9FN2O3
Molecular Weight212.18 g/mol
Exact Mass212.06
IUPAC Namemethyl 2-[(2-fluoropyridine-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccnc(F)c1
InChIInChI=1S/C9H9FN2O3/c1-15-8(13)5-12-9(14)6-2-3-11-7(10)4-6/h2-4H,5H2,1H3,(H,12,14)
InChIKeyPQFUEZCSCQIONA-UHFFFAOYSA-N
XLogP0.12
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 61293980
2-fluoro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65106911
N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 61294521
methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate
CID 47421773
2-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65036628
N-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide
CID 61292678
2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 62641304
N-(2-ethyl-2-hydroxypentyl)-2-fluoropyridine-4-carboxamide
CID 144683885
2-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
CID 113237946
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoropyridine-4-carboxamide
CID 61293798
2-fluoro-N-(4-methylpentyl)pyridine-4-carboxamide
CID 61293855
methyl 3-[ethyl-(2-fluoropyridine-4-carbonyl)amino]propanoate
CID 103633415

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-fluoropyridine-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(2-fluoropyridine-4-carbonyl)amino]acetate (CID 61292675) is methyl 2-[(2-fluoropyridine-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-fluoropyridine-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-fluoropyridine-4-carbonyl)amino]acetate is COC(=O)CNC(=O)c1ccnc(F)c1.
What is the InChIKey of methyl 2-[(2-fluoropyridine-4-carbonyl)amino]acetate?
The InChIKey is PQFUEZCSCQIONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O3/c1-15-8(13)5-12-9(14)6-2-3-11-7(10)4-6/h2-4H,5H2,1H3,(H,12,14).
What are the key properties of methyl 2-[(2-fluoropyridine-4-carbonyl)amino]acetate?
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]acetate has a molecular weight of 212.18 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-fluoropyridine-4-carbonyl)amino]acetate is sourced from PubChem (CID 61292675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).