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

C9H4F3NO2 — CID 18613929

IUPAC3-(trifluoromethyl)pyrano[3,4-c]pyridin-1-one
SMILESO=c1oc(C(F)(F)F)cc2ccncc12
InChIInChI=1S/C9H4F3NO2/c10-9(11,12)7-3-5-1-2-13-4-6(5)8(14)15-7/h1-4H
InChIKeyKTAFFPNFLHUKQC-UHFFFAOYSA-N
MW215.13 g/mol
LogP2.21
Rot. Bonds

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

3-(trifluoromethyl)pyrano[3,4-c]pyridin-1-one (PubChem CID 18613929) has the molecular formula C9H4F3NO2 and a molecular weight of 215.13 g/mol. Its IUPAC name is 3-(trifluoromethyl)pyrano[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name3-(trifluoromethyl)pyrano[3,4-c]pyridin-1-one
PubChem CID18613929
Molecular FormulaC9H4F3NO2
Molecular Weight215.13 g/mol
Exact Mass215.02
IUPAC Name3-(trifluoromethyl)pyrano[3,4-c]pyridin-1-one
SMILESO=c1oc(C(F)(F)F)cc2ccncc12
InChIInChI=1S/C9H4F3NO2/c10-9(11,12)7-3-5-1-2-13-4-6(5)8(14)15-7/h1-4H
InChIKeyKTAFFPNFLHUKQC-UHFFFAOYSA-N
XLogP2.21
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)pyrano[3,4-c]pyridin-1-one?
The IUPAC name of 3-(trifluoromethyl)pyrano[3,4-c]pyridin-1-one (CID 18613929) is 3-(trifluoromethyl)pyrano[3,4-c]pyridin-1-one.
What is the SMILES notation for 3-(trifluoromethyl)pyrano[3,4-c]pyridin-1-one?
The canonical SMILES for 3-(trifluoromethyl)pyrano[3,4-c]pyridin-1-one is O=c1oc(C(F)(F)F)cc2ccncc12.
What is the InChIKey of 3-(trifluoromethyl)pyrano[3,4-c]pyridin-1-one?
The InChIKey is KTAFFPNFLHUKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NO2/c10-9(11,12)7-3-5-1-2-13-4-6(5)8(14)15-7/h1-4H.
What are the key properties of 3-(trifluoromethyl)pyrano[3,4-c]pyridin-1-one?
3-(trifluoromethyl)pyrano[3,4-c]pyridin-1-one has a molecular weight of 215.13 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)pyrano[3,4-c]pyridin-1-one is sourced from PubChem (CID 18613929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).