7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one

C15H9BrF3N3O2 — CID 2649456

IUPAC7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1cc(=O)n2cc(Br)ccc2n1
InChIInChI=1S/C15H9BrF3N3O2/c16-10-2-3-12-20-11(5-14(24)22(12)7-10)8-21-6-9(15(17,18)19)1-4-13(21)23/h1-7H,8H2
InChIKeyPPDWQRFEDNTTNH-UHFFFAOYSA-N
MW400.15 g/mol
LogP2.69
Rot. Bonds2

About 7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one

7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 2649456) has the molecular formula C15H9BrF3N3O2 and a molecular weight of 400.15 g/mol. Its IUPAC name is 7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID2649456
Molecular FormulaC15H9BrF3N3O2
Molecular Weight400.15 g/mol
Exact Mass398.98
IUPAC Name7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1cc(=O)n2cc(Br)ccc2n1
InChIInChI=1S/C15H9BrF3N3O2/c16-10-2-3-12-20-11(5-14(24)22(12)7-10)8-21-6-9(15(17,18)19)1-4-13(21)23/h1-7H,8H2
InChIKeyPPDWQRFEDNTTNH-UHFFFAOYSA-N
XLogP2.69
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.15
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

7-Methyl-2-[[2-oxo-5-(trifluoromethyl)pyridin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 2439152
2-[[3-Chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 2085635
3-bromo-2-butyl-8-(trifluoromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 68856711
7-Methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 83401966
3-Bromo-2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 123672328
7-Bromo-2-ethyl-9-fluoro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 138958356
7-(Bromomethyl)-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 156409553
3-Bromo-7-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 156409586
3-Bromo-8-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 156409590
3-Bromo-2,8-bis(trifluoromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 156409624
8-Ethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 156409659
3-Bromo-7-[(dimethylamino)methyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 156409662

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 2649456) is 7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1ccc(C(F)(F)F)cn1Cc1cc(=O)n2cc(Br)ccc2n1.
What is the InChIKey of 7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PPDWQRFEDNTTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF3N3O2/c16-10-2-3-12-20-11(5-14(24)22(12)7-10)8-21-6-9(15(17,18)19)1-4-13(21)23/h1-7H,8H2.
What are the key properties of 7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 400.15 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 2649456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).