5-chloro-N-[(2-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C15H11ClF4N2O2 — CID 55739738

IUPAC5-chloro-N-[(2-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1F)c1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C15H11ClF4N2O2/c16-11-5-10(7-22-14(11)24-8-15(18,19)20)13(23)21-6-9-3-1-2-4-12(9)17/h1-5,7H,6,8H2,(H,21,23)
InChIKeyUDBATDMYRSOLOM-UHFFFAOYSA-N
MW362.71 g/mol
LogP3.75
Rot. Bonds5

About 5-chloro-N-[(2-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

5-chloro-N-[(2-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 55739738) has the molecular formula C15H11ClF4N2O2 and a molecular weight of 362.71 g/mol. Its IUPAC name is 5-chloro-N-[(2-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID55739738
Molecular FormulaC15H11ClF4N2O2
Molecular Weight362.71 g/mol
Exact Mass362.04
IUPAC Name5-chloro-N-[(2-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1F)c1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C15H11ClF4N2O2/c16-11-5-10(7-22-14(11)24-8-15(18,19)20)13(23)21-6-9-3-1-2-4-12(9)17/h1-5,7H,6,8H2,(H,21,23)
InChIKeyUDBATDMYRSOLOM-UHFFFAOYSA-N
XLogP3.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.71
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2,6-difluorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55752771
6-amino-5-chloro-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 55043681
N-[(2-fluorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31900375
5-chloro-N-(3,5-difluorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55741055
N-[(2-fluorophenyl)methyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109256968
4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 81307450
N-[(2-fluorophenyl)methyl]pyrido[2,3-b]pyrazine-7-carboxamide
CID 110851225
5-chloro-N-[2-(oxolan-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51116396
2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256919
2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086329
N-[(2-fluorophenyl)methyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109233370
5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105517

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[(2-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 55739738) is 5-chloro-N-[(2-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(2-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(NCc1ccccc1F)c1cnc(OCC(F)(F)F)c(Cl)c1.
What is the InChIKey of 5-chloro-N-[(2-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is UDBATDMYRSOLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF4N2O2/c16-11-5-10(7-22-14(11)24-8-15(18,19)20)13(23)21-6-9-3-1-2-4-12(9)17/h1-5,7H,6,8H2,(H,21,23).
What are the key properties of 5-chloro-N-[(2-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
5-chloro-N-[(2-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 362.71 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 55739738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).