5,7-dimethyl-2-(trifluoromethyl)pyrano[2,3-b]pyridin-4-one

Name: 5,7-dimethyl-2-(trifluoromethyl)pyrano[2,3-b]pyridin-4-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₈F₃NO₂ — CID 1299441

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5,7-dimethyl-2-(trifluoromethyl)pyrano[2,3-b]pyridin-4-one

SMILESCc1cc(C)c2c(=O)cc(C(F)(F)F)oc2n1

InChIInChI=1S/C11H8F3NO2/c1-5-3-6(2)15-10-9(5)7(16)4-8(17-10)11(12,13)14/h3-4H,1-2H3

InChIKeyKDJHPFVIODTZQU-UHFFFAOYSA-N

MW243.18 g/mol

LogP2.82

Rot. Bonds

About 5,7-dimethyl-2-(trifluoromethyl)pyrano[2,3-b]pyridin-4-one

5,7-dimethyl-2-(trifluoromethyl)pyrano[2,3-b]pyridin-4-one (PubChem CID 1299441) has the molecular formula C₁₁H₈F₃NO₂ and a molecular weight of 243.18 g/mol. Its IUPAC name is 5,7-dimethyl-2-(trifluoromethyl)pyrano[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name	5,7-dimethyl-2-(trifluoromethyl)pyrano[2,3-b]pyridin-4-one
PubChem CID	1299441
Molecular Formula	C₁₁H₈F₃NO₂
Molecular Weight	243.18 g/mol
Exact Mass	243.05
IUPAC Name	5,7-dimethyl-2-(trifluoromethyl)pyrano[2,3-b]pyridin-4-one
SMILES	Cc1cc(C)c2c(=O)cc(C(F)(F)F)oc2n1
InChI	InChI=1S/C11H8F3NO2/c1-5-3-6(2)15-10-9(5)7(16)4-8(17-10)11(12,13)14/h3-4H,1-2H3
InChIKey	KDJHPFVIODTZQU-UHFFFAOYSA-N
XLogP	2.82
TPSA	43.10 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	243.18
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(trifluoromethyl)pyrano[2,3-b]pyridin-4-one?

The IUPAC name of 5,7-dimethyl-2-(trifluoromethyl)pyrano[2,3-b]pyridin-4-one (CID 1299441) is 5,7-dimethyl-2-(trifluoromethyl)pyrano[2,3-b]pyridin-4-one.

What is the SMILES notation for 5,7-dimethyl-2-(trifluoromethyl)pyrano[2,3-b]pyridin-4-one?

The canonical SMILES for 5,7-dimethyl-2-(trifluoromethyl)pyrano[2,3-b]pyridin-4-one is Cc1cc(C)c2c(=O)cc(C(F)(F)F)oc2n1.

What is the InChIKey of 5,7-dimethyl-2-(trifluoromethyl)pyrano[2,3-b]pyridin-4-one?

The InChIKey is KDJHPFVIODTZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c1-5-3-6(2)15-10-9(5)7(16)4-8(17-10)11(12,13)14/h3-4H,1-2H3.

What are the key properties of 5,7-dimethyl-2-(trifluoromethyl)pyrano[2,3-b]pyridin-4-one?

5,7-dimethyl-2-(trifluoromethyl)pyrano[2,3-b]pyridin-4-one has a molecular weight of 243.18 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dimethyl-2-(trifluoromethyl)pyrano[2,3-b]pyridin-4-one is sourced from PubChem (CID 1299441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 1299441 — identifiers, structure, computed properties (public domain)

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