6-[chloro(difluoro)methyl]-N-(2-methoxyethyl)-2-oxo-1H-pyridine-3-carboxamide

C10H11ClF2N2O3 — CID 59828236

IUPAC6-[chloro(difluoro)methyl]-N-(2-methoxyethyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(C(F)(F)Cl)[nH]c1=O
InChIInChI=1S/C10H11ClF2N2O3/c1-18-5-4-14-8(16)6-2-3-7(10(11,12)13)15-9(6)17/h2-3H,4-5H2,1H3,(H,14,16)(H,15,17)
InChIKeyMHFFZFLRCXMUJP-UHFFFAOYSA-N
MW280.66 g/mol
LogP1.04
Rot. Bonds5

About 6-[chloro(difluoro)methyl]-N-(2-methoxyethyl)-2-oxo-1H-pyridine-3-carboxamide

6-[chloro(difluoro)methyl]-N-(2-methoxyethyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 59828236) has the molecular formula C10H11ClF2N2O3 and a molecular weight of 280.66 g/mol. Its IUPAC name is 6-[chloro(difluoro)methyl]-N-(2-methoxyethyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[chloro(difluoro)methyl]-N-(2-methoxyethyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID59828236
Molecular FormulaC10H11ClF2N2O3
Molecular Weight280.66 g/mol
Exact Mass280.04
IUPAC Name6-[chloro(difluoro)methyl]-N-(2-methoxyethyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(C(F)(F)Cl)[nH]c1=O
InChIInChI=1S/C10H11ClF2N2O3/c1-18-5-4-14-8(16)6-2-3-7(10(11,12)13)15-9(6)17/h2-3H,4-5H2,1H3,(H,14,16)(H,15,17)
InChIKeyMHFFZFLRCXMUJP-UHFFFAOYSA-N
XLogP1.04
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.66
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[chloro(difluoro)methyl]-N-(2-methoxyethyl)-2-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[chloro(difluoro)methyl]-N-(2-methoxyethyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-[chloro(difluoro)methyl]-N-(2-methoxyethyl)-2-oxo-1H-pyridine-3-carboxamide (CID 59828236) is 6-[chloro(difluoro)methyl]-N-(2-methoxyethyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-[chloro(difluoro)methyl]-N-(2-methoxyethyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-[chloro(difluoro)methyl]-N-(2-methoxyethyl)-2-oxo-1H-pyridine-3-carboxamide is COCCNC(=O)c1ccc(C(F)(F)Cl)[nH]c1=O.
What is the InChIKey of 6-[chloro(difluoro)methyl]-N-(2-methoxyethyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MHFFZFLRCXMUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N2O3/c1-18-5-4-14-8(16)6-2-3-7(10(11,12)13)15-9(6)17/h2-3H,4-5H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 6-[chloro(difluoro)methyl]-N-(2-methoxyethyl)-2-oxo-1H-pyridine-3-carboxamide?
6-[chloro(difluoro)methyl]-N-(2-methoxyethyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 280.66 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro(difluoro)methyl]-N-(2-methoxyethyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 59828236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).