3-bromo-8-methoxy-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

C10H6BrF3N2O2 — CID 131691953

IUPAC3-bromo-8-methoxy-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccn2c(=O)c(Br)c(C(F)(F)F)nc2c1
InChIInChI=1S/C10H6BrF3N2O2/c1-18-5-2-3-16-6(4-5)15-8(10(12,13)14)7(11)9(16)17/h2-4H,1H3
InChIKeySYPFSGMGQVNVRF-UHFFFAOYSA-N
MW323.07 g/mol
LogP2.48
Rot. Bonds1

About 3-bromo-8-methoxy-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

3-bromo-8-methoxy-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 131691953) has the molecular formula C10H6BrF3N2O2 and a molecular weight of 323.07 g/mol. Its IUPAC name is 3-bromo-8-methoxy-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-bromo-8-methoxy-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID131691953
Molecular FormulaC10H6BrF3N2O2
Molecular Weight323.07 g/mol
Exact Mass321.96
IUPAC Name3-bromo-8-methoxy-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccn2c(=O)c(Br)c(C(F)(F)F)nc2c1
InChIInChI=1S/C10H6BrF3N2O2/c1-18-5-2-3-16-6(4-5)15-8(10(12,13)14)7(11)9(16)17/h2-4H,1H3
InChIKeySYPFSGMGQVNVRF-UHFFFAOYSA-N
XLogP2.48
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.07
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-methoxy-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-bromo-8-methoxy-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 131691953) is 3-bromo-8-methoxy-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-bromo-8-methoxy-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-bromo-8-methoxy-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is COc1ccn2c(=O)c(Br)c(C(F)(F)F)nc2c1.
What is the InChIKey of 3-bromo-8-methoxy-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SYPFSGMGQVNVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2O2/c1-18-5-2-3-16-6(4-5)15-8(10(12,13)14)7(11)9(16)17/h2-4H,1H3.
What are the key properties of 3-bromo-8-methoxy-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
3-bromo-8-methoxy-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 323.07 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-methoxy-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 131691953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).