6-(2,2-difluoro-3-hydroxy-1,3-dihydroinden-4-yl)-1-methylpyridin-2-one

C15H13F2NO2 — CID 156859110

IUPAC6-(2,2-difluoro-3-hydroxy-1,3-dihydroinden-4-yl)-1-methylpyridin-2-one
SMILESCn1c(-c2cccc3c2C(O)C(F)(F)C3)cccc1=O
InChIInChI=1S/C15H13F2NO2/c1-18-11(6-3-7-12(18)19)10-5-2-4-9-8-15(16,17)14(20)13(9)10/h2-7,14,20H,8H2,1H3
InChIKeyCOPWVRZVLDNTNU-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.28
Rot. Bonds1

About 6-(2,2-difluoro-3-hydroxy-1,3-dihydroinden-4-yl)-1-methylpyridin-2-one

6-(2,2-difluoro-3-hydroxy-1,3-dihydroinden-4-yl)-1-methylpyridin-2-one (PubChem CID 156859110) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 6-(2,2-difluoro-3-hydroxy-1,3-dihydroinden-4-yl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name6-(2,2-difluoro-3-hydroxy-1,3-dihydroinden-4-yl)-1-methylpyridin-2-one
PubChem CID156859110
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name6-(2,2-difluoro-3-hydroxy-1,3-dihydroinden-4-yl)-1-methylpyridin-2-one
SMILESCn1c(-c2cccc3c2C(O)C(F)(F)C3)cccc1=O
InChIInChI=1S/C15H13F2NO2/c1-18-11(6-3-7-12(18)19)10-5-2-4-9-8-15(16,17)14(20)13(9)10/h2-7,14,20H,8H2,1H3
InChIKeyCOPWVRZVLDNTNU-UHFFFAOYSA-N
XLogP2.28
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoro-3-hydroxy-1,3-dihydroinden-4-yl)-1-methylpyridin-2-one?
The IUPAC name of 6-(2,2-difluoro-3-hydroxy-1,3-dihydroinden-4-yl)-1-methylpyridin-2-one (CID 156859110) is 6-(2,2-difluoro-3-hydroxy-1,3-dihydroinden-4-yl)-1-methylpyridin-2-one.
What is the SMILES notation for 6-(2,2-difluoro-3-hydroxy-1,3-dihydroinden-4-yl)-1-methylpyridin-2-one?
The canonical SMILES for 6-(2,2-difluoro-3-hydroxy-1,3-dihydroinden-4-yl)-1-methylpyridin-2-one is Cn1c(-c2cccc3c2C(O)C(F)(F)C3)cccc1=O.
What is the InChIKey of 6-(2,2-difluoro-3-hydroxy-1,3-dihydroinden-4-yl)-1-methylpyridin-2-one?
The InChIKey is COPWVRZVLDNTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-18-11(6-3-7-12(18)19)10-5-2-4-9-8-15(16,17)14(20)13(9)10/h2-7,14,20H,8H2,1H3.
What are the key properties of 6-(2,2-difluoro-3-hydroxy-1,3-dihydroinden-4-yl)-1-methylpyridin-2-one?
6-(2,2-difluoro-3-hydroxy-1,3-dihydroinden-4-yl)-1-methylpyridin-2-one has a molecular weight of 277.27 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoro-3-hydroxy-1,3-dihydroinden-4-yl)-1-methylpyridin-2-one is sourced from PubChem (CID 156859110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).