2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide

C13H9F3N2O3 — CID 69477182

IUPAC2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H9F3N2O3/c14-13(15,16)21-9-5-3-8(4-6-9)20-12-10(11(17)19)2-1-7-18-12/h1-7H,(H2,17,19)
InChIKeyVYBAQDNOMHFZPT-UHFFFAOYSA-N
MW298.22 g/mol
LogP2.87
Rot. Bonds4

About 2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide

2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide (PubChem CID 69477182) has the molecular formula C13H9F3N2O3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
PubChem CID69477182
Molecular FormulaC13H9F3N2O3
Molecular Weight298.22 g/mol
Exact Mass298.06
IUPAC Name2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H9F3N2O3/c14-13(15,16)21-9-5-3-8(4-6-9)20-12-10(11(17)19)2-1-7-18-12/h1-7H,(H2,17,19)
InChIKeyVYBAQDNOMHFZPT-UHFFFAOYSA-N
XLogP2.87
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide (CID 69477182) is 2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide is NC(=O)c1cccnc1Oc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide?
The InChIKey is VYBAQDNOMHFZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O3/c14-13(15,16)21-9-5-3-8(4-6-9)20-12-10(11(17)19)2-1-7-18-12/h1-7H,(H2,17,19).
What are the key properties of 2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide?
2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide has a molecular weight of 298.22 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 69477182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).