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

C9H11FN2O2 — CID 118544438

IUPACN-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]acetamide
SMILESCC(=O)NCc1c(F)[nH]c(C)cc1=O
InChIInChI=1S/C9H11FN2O2/c1-5-3-8(14)7(9(10)12-5)4-11-6(2)13/h3H,4H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyDKVJAQITGJPGRE-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.46
Rot. Bonds2

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

N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]acetamide (PubChem CID 118544438) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]acetamide
PubChem CID118544438
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC NameN-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]acetamide
SMILESCC(=O)NCc1c(F)[nH]c(C)cc1=O
InChIInChI=1S/C9H11FN2O2/c1-5-3-8(14)7(9(10)12-5)4-11-6(2)13/h3H,4H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyDKVJAQITGJPGRE-UHFFFAOYSA-N
XLogP0.46
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methyl-4-oxo-1H-pyridin-3-yl)methyl]acetamide?
The IUPAC name of N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]acetamide (CID 118544438) is N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]acetamide?
The canonical SMILES for N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]acetamide is CC(=O)NCc1c(F)[nH]c(C)cc1=O.
What is the InChIKey of N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]acetamide?
The InChIKey is DKVJAQITGJPGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-5-3-8(14)7(9(10)12-5)4-11-6(2)13/h3H,4H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]acetamide?
N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]acetamide has a molecular weight of 198.20 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]acetamide is sourced from PubChem (CID 118544438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).