N-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide

C9H11FN2O3 — CID 118544459

IUPACN-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide
SMILESCOc1[nH]c(F)cc(=O)c1CNC(C)=O
InChIInChI=1S/C9H11FN2O3/c1-5(13)11-4-6-7(14)3-8(10)12-9(6)15-2/h3H,4H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyLVOKEFMCEUWORM-UHFFFAOYSA-N
MW214.20 g/mol
LogP0.16
Rot. Bonds3

About N-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide

N-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide (PubChem CID 118544459) has the molecular formula C9H11FN2O3 and a molecular weight of 214.20 g/mol. Its IUPAC name is N-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide
PubChem CID118544459
Molecular FormulaC9H11FN2O3
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC NameN-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide
SMILESCOc1[nH]c(F)cc(=O)c1CNC(C)=O
InChIInChI=1S/C9H11FN2O3/c1-5(13)11-4-6-7(14)3-8(10)12-9(6)15-2/h3H,4H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyLVOKEFMCEUWORM-UHFFFAOYSA-N
XLogP0.16
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide?
The IUPAC name of N-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide (CID 118544459) is N-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide?
The canonical SMILES for N-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide is COc1[nH]c(F)cc(=O)c1CNC(C)=O.
What is the InChIKey of N-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide?
The InChIKey is LVOKEFMCEUWORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3/c1-5(13)11-4-6-7(14)3-8(10)12-9(6)15-2/h3H,4H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide?
N-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide has a molecular weight of 214.20 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide is sourced from PubChem (CID 118544459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).