5-(6-bromo-3,4-dihydro-2H-chromen-2-yl)-6-(trifluoromethyl)-1H-pyridin-2-one

C15H11BrF3NO2 — CID 130319527

IUPAC5-(6-bromo-3,4-dihydro-2H-chromen-2-yl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1ccc(C2CCc3cc(Br)ccc3O2)c(C(F)(F)F)[nH]1
InChIInChI=1S/C15H11BrF3NO2/c16-9-2-5-11-8(7-9)1-4-12(22-11)10-3-6-13(21)20-14(10)15(17,18)19/h2-3,5-7,12H,1,4H2,(H,20,21)
InChIKeyPKNBJBRQDFCVOM-UHFFFAOYSA-N
MW374.16 g/mol
LogP4.22
Rot. Bonds1

About 5-(6-bromo-3,4-dihydro-2H-chromen-2-yl)-6-(trifluoromethyl)-1H-pyridin-2-one

5-(6-bromo-3,4-dihydro-2H-chromen-2-yl)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 130319527) has the molecular formula C15H11BrF3NO2 and a molecular weight of 374.16 g/mol. Its IUPAC name is 5-(6-bromo-3,4-dihydro-2H-chromen-2-yl)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(6-bromo-3,4-dihydro-2H-chromen-2-yl)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID130319527
Molecular FormulaC15H11BrF3NO2
Molecular Weight374.16 g/mol
Exact Mass372.99
IUPAC Name5-(6-bromo-3,4-dihydro-2H-chromen-2-yl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1ccc(C2CCc3cc(Br)ccc3O2)c(C(F)(F)F)[nH]1
InChIInChI=1S/C15H11BrF3NO2/c16-9-2-5-11-8(7-9)1-4-12(22-11)10-3-6-13(21)20-14(10)15(17,18)19/h2-3,5-7,12H,1,4H2,(H,20,21)
InChIKeyPKNBJBRQDFCVOM-UHFFFAOYSA-N
XLogP4.22
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.16
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(6-bromo-3,4-dihydro-2H-chromen-2-yl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(6-bromo-3,4-dihydro-2H-chromen-2-yl)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 130319527) is 5-(6-bromo-3,4-dihydro-2H-chromen-2-yl)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(6-bromo-3,4-dihydro-2H-chromen-2-yl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(6-bromo-3,4-dihydro-2H-chromen-2-yl)-6-(trifluoromethyl)-1H-pyridin-2-one is O=c1ccc(C2CCc3cc(Br)ccc3O2)c(C(F)(F)F)[nH]1.
What is the InChIKey of 5-(6-bromo-3,4-dihydro-2H-chromen-2-yl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is PKNBJBRQDFCVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF3NO2/c16-9-2-5-11-8(7-9)1-4-12(22-11)10-3-6-13(21)20-14(10)15(17,18)19/h2-3,5-7,12H,1,4H2,(H,20,21).
What are the key properties of 5-(6-bromo-3,4-dihydro-2H-chromen-2-yl)-6-(trifluoromethyl)-1H-pyridin-2-one?
5-(6-bromo-3,4-dihydro-2H-chromen-2-yl)-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 374.16 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromo-3,4-dihydro-2H-chromen-2-yl)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130319527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).