3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;hydrobromide

C9H5Br2F3N2O — CID 68854791

IUPAC3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;hydrobromide
SMILESBr.O=c1c(Br)c(C(F)(F)F)nc2ccccn12
InChIInChI=1S/C9H4BrF3N2O.BrH/c10-6-7(9(11,12)13)14-5-3-1-2-4-15(5)8(6)16;/h1-4H;1H
InChIKeyKUXSYPVKVPXHAB-UHFFFAOYSA-N
MW373.95 g/mol
LogP3.05
Rot. Bonds

About 3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;hydrobromide

3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;hydrobromide (PubChem CID 68854791) has the molecular formula C9H5Br2F3N2O and a molecular weight of 373.95 g/mol. Its IUPAC name is 3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;hydrobromide.

Molecular Properties

Compound Name3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;hydrobromide
PubChem CID68854791
Molecular FormulaC9H5Br2F3N2O
Molecular Weight373.95 g/mol
Exact Mass371.87
IUPAC Name3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;hydrobromide
SMILESBr.O=c1c(Br)c(C(F)(F)F)nc2ccccn12
InChIInChI=1S/C9H4BrF3N2O.BrH/c10-6-7(9(11,12)13)14-5-3-1-2-4-15(5)8(6)16;/h1-4H;1H
InChIKeyKUXSYPVKVPXHAB-UHFFFAOYSA-N
XLogP3.05
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.95
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;hydrobromide?
The IUPAC name of 3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;hydrobromide (CID 68854791) is 3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;hydrobromide.
What is the SMILES notation for 3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;hydrobromide?
The canonical SMILES for 3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;hydrobromide is Br.O=c1c(Br)c(C(F)(F)F)nc2ccccn12.
What is the InChIKey of 3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;hydrobromide?
The InChIKey is KUXSYPVKVPXHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF3N2O.BrH/c10-6-7(9(11,12)13)14-5-3-1-2-4-15(5)8(6)16;/h1-4H;1H.
What are the key properties of 3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;hydrobromide?
3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;hydrobromide has a molecular weight of 373.95 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;hydrobromide is sourced from PubChem (CID 68854791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).