5-bromo-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one

C10H5BrF3N3O — CID 135472875

IUPAC5-bromo-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccccn2)nc(C(F)(F)F)c1Br
InChIInChI=1S/C10H5BrF3N3O/c11-6-7(10(12,13)14)16-8(17-9(6)18)5-3-1-2-4-15-5/h1-4H,(H,16,17,18)
InChIKeyJUCVUSOJYXQXFD-UHFFFAOYSA-N
MW320.07 g/mol
LogP2.61
Rot. Bonds1

About 5-bromo-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one

5-bromo-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135472875) has the molecular formula C10H5BrF3N3O and a molecular weight of 320.07 g/mol. Its IUPAC name is 5-bromo-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135472875
Molecular FormulaC10H5BrF3N3O
Molecular Weight320.07 g/mol
Exact Mass318.96
IUPAC Name5-bromo-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccccn2)nc(C(F)(F)F)c1Br
InChIInChI=1S/C10H5BrF3N3O/c11-6-7(10(12,13)14)16-8(17-9(6)18)5-3-1-2-4-15-5/h1-4H,(H,16,17,18)
InChIKeyJUCVUSOJYXQXFD-UHFFFAOYSA-N
XLogP2.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.07
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135472875) is 5-bromo-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccccn2)nc(C(F)(F)F)c1Br.
What is the InChIKey of 5-bromo-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is JUCVUSOJYXQXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF3N3O/c11-6-7(10(12,13)14)16-8(17-9(6)18)5-3-1-2-4-15-5/h1-4H,(H,16,17,18).
What are the key properties of 5-bromo-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
5-bromo-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 320.07 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-pyridin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135472875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).