CID 172822294

C8H5ClF4N2NaO2 — CID 172822294

IUPAC—
SMILESNC(=O)c1ccc(C(F)(F)C(F)(F)Cl)[nH]c1=O.[Na]
InChIInChI=1S/C8H5ClF4N2O2.Na/c9-8(12,13)7(10,11)4-2-1-3(5(14)16)6(17)15-4;/h1-2H,(H2,14,16)(H,15,17);
InChIKeyUJSZKYPAZXCFGR-UHFFFAOYSA-N
MW295.58 g/mol
LogP1.02
Rot. Bonds3

About CID 172822294

CID 172822294 (PubChem CID 172822294) has the molecular formula C8H5ClF4N2NaO2 and a molecular weight of 295.58 g/mol.

Molecular Properties

Compound NameCID 172822294
PubChem CID172822294
Molecular FormulaC8H5ClF4N2NaO2
Molecular Weight295.58 g/mol
Exact Mass294.99
IUPAC Name—
SMILESNC(=O)c1ccc(C(F)(F)C(F)(F)Cl)[nH]c1=O.[Na]
InChIInChI=1S/C8H5ClF4N2O2.Na/c9-8(12,13)7(10,11)4-2-1-3(5(14)16)6(17)15-4;/h1-2H,(H2,14,16)(H,15,17);
InChIKeyUJSZKYPAZXCFGR-UHFFFAOYSA-N
XLogP1.02
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.58
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 11065630
2-Hydroxy-4-methyl-6-(trifluoromethyl)nicotinamide
CID 14043512
6-[Chloro(difluoro)methyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 22113414
5-Bromo-6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1,2-dihydro-pyridine-3-carboxamide
CID 59828232
5-Chloro-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 59828234
6-(2-Chloro-1,1,2,2-tetrafluoroethyl)-N-ethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 59828235
2-Oxo-6-(pentafluoroethyl)-1,2-dihydropyridine-3-carboxamide
CID 59828238
6-(1-Chloro-1,2,2,2-tetrafluoroethyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 59828248
4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride
CID 77231446
6-(2-Chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 86624095
6-Chlorodifluoromethyl-2-hydroxynicotinamide
CID 86756193
2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 89690179

Frequently Asked Questions

What is the IUPAC name of CID 172822294?
The IUPAC name of CID 172822294 (CID 172822294) is not available.
What is the SMILES notation for CID 172822294?
The canonical SMILES for CID 172822294 is NC(=O)c1ccc(C(F)(F)C(F)(F)Cl)[nH]c1=O.[Na].
What is the InChIKey of CID 172822294?
The InChIKey is UJSZKYPAZXCFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF4N2O2.Na/c9-8(12,13)7(10,11)4-2-1-3(5(14)16)6(17)15-4;/h1-2H,(H2,14,16)(H,15,17);.
What are the key properties of CID 172822294?
CID 172822294 has a molecular weight of 295.58 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172822294 is sourced from PubChem (CID 172822294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).