3-(4-methoxyphenoxy)-5-(trifluoromethyl)pyridine-2-carboxamide

C14H11F3N2O3 — CID 1478745

IUPAC3-(4-methoxyphenoxy)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1ccc(Oc2cc(C(F)(F)F)cnc2C(N)=O)cc1
InChIInChI=1S/C14H11F3N2O3/c1-21-9-2-4-10(5-3-9)22-11-6-8(14(15,16)17)7-19-12(11)13(18)20/h2-7H,1H3,(H2,18,20)
InChIKeyFUJFWINSUVLLQE-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.00
Rot. Bonds4

About 3-(4-methoxyphenoxy)-5-(trifluoromethyl)pyridine-2-carboxamide

3-(4-methoxyphenoxy)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 1478745) has the molecular formula C14H11F3N2O3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 3-(4-methoxyphenoxy)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenoxy)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID1478745
Molecular FormulaC14H11F3N2O3
Molecular Weight312.25 g/mol
Exact Mass312.07
IUPAC Name3-(4-methoxyphenoxy)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1ccc(Oc2cc(C(F)(F)F)cnc2C(N)=O)cc1
InChIInChI=1S/C14H11F3N2O3/c1-21-9-2-4-10(5-3-9)22-11-6-8(14(15,16)17)7-19-12(11)13(18)20/h2-7H,1H3,(H2,18,20)
InChIKeyFUJFWINSUVLLQE-UHFFFAOYSA-N
XLogP3.00
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenoxy)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-(4-methoxyphenoxy)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 1478745) is 3-(4-methoxyphenoxy)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenoxy)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-(4-methoxyphenoxy)-5-(trifluoromethyl)pyridine-2-carboxamide is COc1ccc(Oc2cc(C(F)(F)F)cnc2C(N)=O)cc1.
What is the InChIKey of 3-(4-methoxyphenoxy)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is FUJFWINSUVLLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O3/c1-21-9-2-4-10(5-3-9)22-11-6-8(14(15,16)17)7-19-12(11)13(18)20/h2-7H,1H3,(H2,18,20).
What are the key properties of 3-(4-methoxyphenoxy)-5-(trifluoromethyl)pyridine-2-carboxamide?
3-(4-methoxyphenoxy)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 312.25 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenoxy)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 1478745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).