6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)-2-oxopyridine-3-carboxamide

C10H11ClF2N2O3 — CID 142783024

IUPAC6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)-2-oxopyridine-3-carboxamide
SMILESCOCCn1c(C(F)(F)Cl)ccc(C(N)=O)c1=O
InChIInChI=1S/C10H11ClF2N2O3/c1-18-5-4-15-7(10(11,12)13)3-2-6(8(14)16)9(15)17/h2-3H,4-5H2,1H3,(H2,14,16)
InChIKeyGVPCVVPJSUXSLW-UHFFFAOYSA-N
MW280.66 g/mol
LogP0.88
Rot. Bonds5

About 6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)-2-oxopyridine-3-carboxamide

6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)-2-oxopyridine-3-carboxamide (PubChem CID 142783024) has the molecular formula C10H11ClF2N2O3 and a molecular weight of 280.66 g/mol. Its IUPAC name is 6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)-2-oxopyridine-3-carboxamide
PubChem CID142783024
Molecular FormulaC10H11ClF2N2O3
Molecular Weight280.66 g/mol
Exact Mass280.04
IUPAC Name6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)-2-oxopyridine-3-carboxamide
SMILESCOCCn1c(C(F)(F)Cl)ccc(C(N)=O)c1=O
InChIInChI=1S/C10H11ClF2N2O3/c1-18-5-4-15-7(10(11,12)13)3-2-6(8(14)16)9(15)17/h2-3H,4-5H2,1H3,(H2,14,16)
InChIKeyGVPCVVPJSUXSLW-UHFFFAOYSA-N
XLogP0.88
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.66
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Butoxyethyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 47060470
6-[Chloro(difluoro)methyl]-N-(2-methoxyethyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 59828236
Methyl N-({6-[chloro(difluoro)methyl]2 oxo-1,2-dihydropyridin-3-yl}carbonyl)glycinate
CID 59828244
1-Ethyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 25965636
2-Oxo-1-propyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 25965637
1-(2-Chloroprop-2-enyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 25965763
N-[(2R)-1-methoxypropan-2-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 32069418
N-[(2S)-1-methoxypropan-2-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 32069428
N-(2-hydroxyethyl)-2-oxo-N-propan-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43573525
1-[2-(3-Methylbutoxy)ethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 47061685
N-(1-methoxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 51075642
6-methyl-2-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide
CID 53506670

Frequently Asked Questions

What is the IUPAC name of 6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)-2-oxopyridine-3-carboxamide (CID 142783024) is 6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)-2-oxopyridine-3-carboxamide is COCCn1c(C(F)(F)Cl)ccc(C(N)=O)c1=O.
What is the InChIKey of 6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)-2-oxopyridine-3-carboxamide?
The InChIKey is GVPCVVPJSUXSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N2O3/c1-18-5-4-15-7(10(11,12)13)3-2-6(8(14)16)9(15)17/h2-3H,4-5H2,1H3,(H2,14,16).
What are the key properties of 6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)-2-oxopyridine-3-carboxamide?
6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)-2-oxopyridine-3-carboxamide has a molecular weight of 280.66 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro(difluoro)methyl]-1-(2-methoxyethyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 142783024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).