2-(2-chloro-4-fluorophenoxy)-N-oxido-5-(trifluoromethyl)pyridine-3-carboxamide

C13H6ClF4N2O3- — CID 175125142

IUPAC2-(2-chloro-4-fluorophenoxy)-N-oxido-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(N[O-])c1cc(C(F)(F)F)cnc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C13H6ClF4N2O3/c14-9-4-7(15)1-2-10(9)23-12-8(11(21)20-22)3-6(5-19-12)13(16,17)18/h1-5H,(H-,20,21,22)/q-1
InChIKeyLEDDMMBYLSUDJA-UHFFFAOYSA-N
MW349.65 g/mol
LogP3.91
Rot. Bonds3

About 2-(2-chloro-4-fluorophenoxy)-N-oxido-5-(trifluoromethyl)pyridine-3-carboxamide

2-(2-chloro-4-fluorophenoxy)-N-oxido-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 175125142) has the molecular formula C13H6ClF4N2O3- and a molecular weight of 349.65 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-oxido-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-oxido-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID175125142
Molecular FormulaC13H6ClF4N2O3-
Molecular Weight349.65 g/mol
Exact Mass349.00
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-oxido-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(N[O-])c1cc(C(F)(F)F)cnc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C13H6ClF4N2O3/c14-9-4-7(15)1-2-10(9)23-12-8(11(21)20-22)3-6(5-19-12)13(16,17)18/h1-5H,(H-,20,21,22)/q-1
InChIKeyLEDDMMBYLSUDJA-UHFFFAOYSA-N
XLogP3.91
TPSA74.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.65
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 151376738
2-(2-chloro-4-methoxyphenoxy)-N-(1-oxidopyridin-1-ium-3-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 151322450
2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 175967839
2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-pyrimidin-5-yl-5-(trifluoromethyl)pyridine-3-carboxamide
CID 151579165
2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 151756936
N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2,4-difluorobenzamide
CID 10113425
2-(2-amino-4-fluorophenoxy)-N-(6-oxo-1H-pyridazin-4-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 177358169
2-[4-fluoro-2-[3-(methylamino)propoxy]phenoxy]-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 177357924
N-(1,3-benzothiazol-2-yl)-2-(4-fluoro-2-methoxyphenoxy)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 151015231
2-[4-fluoro-2-[3-(methylamino)propoxy]phenoxy]-N-(3-sulfanylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 177358066
methyl 5-(2-chloro-4-fluorophenoxy)pyrazine-2-carboxylate
CID 114059663
methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate
CID 134204705

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-oxido-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-oxido-5-(trifluoromethyl)pyridine-3-carboxamide (CID 175125142) is 2-(2-chloro-4-fluorophenoxy)-N-oxido-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-oxido-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-oxido-5-(trifluoromethyl)pyridine-3-carboxamide is O=C(N[O-])c1cc(C(F)(F)F)cnc1Oc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-oxido-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is LEDDMMBYLSUDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF4N2O3/c14-9-4-7(15)1-2-10(9)23-12-8(11(21)20-22)3-6(5-19-12)13(16,17)18/h1-5H,(H-,20,21,22)/q-1.
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-oxido-5-(trifluoromethyl)pyridine-3-carboxamide?
2-(2-chloro-4-fluorophenoxy)-N-oxido-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 349.65 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-oxido-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 175125142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).