1-methyl-7-(trifluoromethyl)-1H-pyrano[4,3-c]pyridin-4-one

C10H8F3NO2 — CID 171329332

IUPAC1-methyl-7-(trifluoromethyl)-1H-pyrano[4,3-c]pyridin-4-one
SMILESCC1OCC(=O)c2cnc(C(F)(F)F)cc21
InChIInChI=1S/C10H8F3NO2/c1-5-6-2-9(10(11,12)13)14-3-7(6)8(15)4-16-5/h2-3,5H,4H2,1H3
InChIKeyRNUHAHITXATNSH-UHFFFAOYSA-N
MW231.17 g/mol
LogP2.37
Rot. Bonds

About 1-methyl-7-(trifluoromethyl)-1H-pyrano[4,3-c]pyridin-4-one

1-methyl-7-(trifluoromethyl)-1H-pyrano[4,3-c]pyridin-4-one (PubChem CID 171329332) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 1-methyl-7-(trifluoromethyl)-1H-pyrano[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name1-methyl-7-(trifluoromethyl)-1H-pyrano[4,3-c]pyridin-4-one
PubChem CID171329332
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name1-methyl-7-(trifluoromethyl)-1H-pyrano[4,3-c]pyridin-4-one
SMILESCC1OCC(=O)c2cnc(C(F)(F)F)cc21
InChIInChI=1S/C10H8F3NO2/c1-5-6-2-9(10(11,12)13)14-3-7(6)8(15)4-16-5/h2-3,5H,4H2,1H3
InChIKeyRNUHAHITXATNSH-UHFFFAOYSA-N
XLogP2.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(trifluoromethyl)-1H-pyrano[4,3-c]pyridin-4-one?
The IUPAC name of 1-methyl-7-(trifluoromethyl)-1H-pyrano[4,3-c]pyridin-4-one (CID 171329332) is 1-methyl-7-(trifluoromethyl)-1H-pyrano[4,3-c]pyridin-4-one.
What is the SMILES notation for 1-methyl-7-(trifluoromethyl)-1H-pyrano[4,3-c]pyridin-4-one?
The canonical SMILES for 1-methyl-7-(trifluoromethyl)-1H-pyrano[4,3-c]pyridin-4-one is CC1OCC(=O)c2cnc(C(F)(F)F)cc21.
What is the InChIKey of 1-methyl-7-(trifluoromethyl)-1H-pyrano[4,3-c]pyridin-4-one?
The InChIKey is RNUHAHITXATNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c1-5-6-2-9(10(11,12)13)14-3-7(6)8(15)4-16-5/h2-3,5H,4H2,1H3.
What are the key properties of 1-methyl-7-(trifluoromethyl)-1H-pyrano[4,3-c]pyridin-4-one?
1-methyl-7-(trifluoromethyl)-1H-pyrano[4,3-c]pyridin-4-one has a molecular weight of 231.17 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(trifluoromethyl)-1H-pyrano[4,3-c]pyridin-4-one is sourced from PubChem (CID 171329332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).