3-chloro-1-pyrimidin-5-yl-5-(trifluoromethyl)pyridin-2-one

C10H5ClF3N3O — CID 44544150

IUPAC3-chloro-1-pyrimidin-5-yl-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(Cl)cc(C(F)(F)F)cn1-c1cncnc1
InChIInChI=1S/C10H5ClF3N3O/c11-8-1-6(10(12,13)14)4-17(9(8)18)7-2-15-5-16-3-7/h1-5H
InChIKeyWOKCTBKAWANZDQ-UHFFFAOYSA-N
MW275.62 g/mol
LogP2.30
Rot. Bonds1

About 3-chloro-1-pyrimidin-5-yl-5-(trifluoromethyl)pyridin-2-one

3-chloro-1-pyrimidin-5-yl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 44544150) has the molecular formula C10H5ClF3N3O and a molecular weight of 275.62 g/mol. Its IUPAC name is 3-chloro-1-pyrimidin-5-yl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-pyrimidin-5-yl-5-(trifluoromethyl)pyridin-2-one
PubChem CID44544150
Molecular FormulaC10H5ClF3N3O
Molecular Weight275.62 g/mol
Exact Mass275.01
IUPAC Name3-chloro-1-pyrimidin-5-yl-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(Cl)cc(C(F)(F)F)cn1-c1cncnc1
InChIInChI=1S/C10H5ClF3N3O/c11-8-1-6(10(12,13)14)4-17(9(8)18)7-2-15-5-16-3-7/h1-5H
InChIKeyWOKCTBKAWANZDQ-UHFFFAOYSA-N
XLogP2.30
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.62
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-pyrimidin-5-yl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-chloro-1-pyrimidin-5-yl-5-(trifluoromethyl)pyridin-2-one (CID 44544150) is 3-chloro-1-pyrimidin-5-yl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-chloro-1-pyrimidin-5-yl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-chloro-1-pyrimidin-5-yl-5-(trifluoromethyl)pyridin-2-one is O=c1c(Cl)cc(C(F)(F)F)cn1-c1cncnc1.
What is the InChIKey of 3-chloro-1-pyrimidin-5-yl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is WOKCTBKAWANZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3N3O/c11-8-1-6(10(12,13)14)4-17(9(8)18)7-2-15-5-16-3-7/h1-5H.
What are the key properties of 3-chloro-1-pyrimidin-5-yl-5-(trifluoromethyl)pyridin-2-one?
3-chloro-1-pyrimidin-5-yl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 275.62 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-pyrimidin-5-yl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 44544150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).