3-bromo-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one

C7H5BrF3NO2 — CID 66524929

IUPAC3-bromo-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESCOc1[nH]c(=O)c(Br)cc1C(F)(F)F
InChIInChI=1S/C7H5BrF3NO2/c1-14-6-3(7(9,10)11)2-4(8)5(13)12-6/h2H,1H3,(H,12,13)
InChIKeyHPUGEDHJXHPBPO-UHFFFAOYSA-N
MW272.02 g/mol
LogP2.16
Rot. Bonds1

About 3-bromo-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one

3-bromo-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 66524929) has the molecular formula C7H5BrF3NO2 and a molecular weight of 272.02 g/mol. Its IUPAC name is 3-bromo-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID66524929
Molecular FormulaC7H5BrF3NO2
Molecular Weight272.02 g/mol
Exact Mass270.95
IUPAC Name3-bromo-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESCOc1[nH]c(=O)c(Br)cc1C(F)(F)F
InChIInChI=1S/C7H5BrF3NO2/c1-14-6-3(7(9,10)11)2-4(8)5(13)12-6/h2H,1H3,(H,12,13)
InChIKeyHPUGEDHJXHPBPO-UHFFFAOYSA-N
XLogP2.16
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.02
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-bromo-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one (CID 66524929) is 3-bromo-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-bromo-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one is COc1[nH]c(=O)c(Br)cc1C(F)(F)F.
What is the InChIKey of 3-bromo-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is HPUGEDHJXHPBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO2/c1-14-6-3(7(9,10)11)2-4(8)5(13)12-6/h2H,1H3,(H,12,13).
What are the key properties of 3-bromo-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one?
3-bromo-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 272.02 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 66524929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).