7-bromo-2-(2,2-difluoroethoxy)pyrido[1,2-a]pyrimidin-4-one

C10H7BrF2N2O2 — CID 166370966

IUPAC7-bromo-2-(2,2-difluoroethoxy)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(OCC(F)F)nc2ccc(Br)cn12
InChIInChI=1S/C10H7BrF2N2O2/c11-6-1-2-8-14-9(17-5-7(12)13)3-10(16)15(8)4-6/h1-4,7H,5H2
InChIKeyMSBQDTHTEXTXQJ-UHFFFAOYSA-N
MW305.08 g/mol
LogP2.10
Rot. Bonds3

About 7-bromo-2-(2,2-difluoroethoxy)pyrido[1,2-a]pyrimidin-4-one

7-bromo-2-(2,2-difluoroethoxy)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 166370966) has the molecular formula C10H7BrF2N2O2 and a molecular weight of 305.08 g/mol. Its IUPAC name is 7-bromo-2-(2,2-difluoroethoxy)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-(2,2-difluoroethoxy)pyrido[1,2-a]pyrimidin-4-one
PubChem CID166370966
Molecular FormulaC10H7BrF2N2O2
Molecular Weight305.08 g/mol
Exact Mass303.97
IUPAC Name7-bromo-2-(2,2-difluoroethoxy)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(OCC(F)F)nc2ccc(Br)cn12
InChIInChI=1S/C10H7BrF2N2O2/c11-6-1-2-8-14-9(17-5-7(12)13)3-10(16)15(8)4-6/h1-4,7H,5H2
InChIKeyMSBQDTHTEXTXQJ-UHFFFAOYSA-N
XLogP2.10
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.08
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2,2-difluoroethoxy)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-(2,2-difluoroethoxy)pyrido[1,2-a]pyrimidin-4-one (CID 166370966) is 7-bromo-2-(2,2-difluoroethoxy)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-(2,2-difluoroethoxy)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-(2,2-difluoroethoxy)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(OCC(F)F)nc2ccc(Br)cn12.
What is the InChIKey of 7-bromo-2-(2,2-difluoroethoxy)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MSBQDTHTEXTXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2N2O2/c11-6-1-2-8-14-9(17-5-7(12)13)3-10(16)15(8)4-6/h1-4,7H,5H2.
What are the key properties of 7-bromo-2-(2,2-difluoroethoxy)pyrido[1,2-a]pyrimidin-4-one?
7-bromo-2-(2,2-difluoroethoxy)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 305.08 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2,2-difluoroethoxy)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 166370966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).