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

C9H11FN2O3 — CID 118544411

IUPACN-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide
SMILESCOc1cc(=O)c(CNC(C)=O)c(F)[nH]1
InChIInChI=1S/C9H11FN2O3/c1-5(13)11-4-6-7(14)3-8(15-2)12-9(6)10/h3H,4H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyQMHGQVSJHBBVBV-UHFFFAOYSA-N
MW214.20 g/mol
LogP0.16
Rot. Bonds3

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

N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide (PubChem CID 118544411) has the molecular formula C9H11FN2O3 and a molecular weight of 214.20 g/mol. Its IUPAC name is N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide
PubChem CID118544411
Molecular FormulaC9H11FN2O3
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC NameN-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide
SMILESCOc1cc(=O)c(CNC(C)=O)c(F)[nH]1
InChIInChI=1S/C9H11FN2O3/c1-5(13)11-4-6-7(14)3-8(15-2)12-9(6)10/h3H,4H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyQMHGQVSJHBBVBV-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-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide?
The IUPAC name of N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide (CID 118544411) is N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide?
The canonical SMILES for N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide is COc1cc(=O)c(CNC(C)=O)c(F)[nH]1.
What is the InChIKey of N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide?
The InChIKey is QMHGQVSJHBBVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3/c1-5(13)11-4-6-7(14)3-8(15-2)12-9(6)10/h3H,4H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide?
N-[(2-fluoro-6-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-[(2-fluoro-6-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide is sourced from PubChem (CID 118544411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).