6-bromo-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one

C10H8BrF2N3O2 — CID 164596836

IUPAC6-bromo-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1nc2nc(OCC(F)F)c(Br)cc2c(=O)[nH]1
InChIInChI=1S/C10H8BrF2N3O2/c1-4-14-8-5(9(17)15-4)2-6(11)10(16-8)18-3-7(12)13/h2,7H,3H2,1H3,(H,14,15,16,17)
InChIKeyMJKGVDVPFNSEKS-UHFFFAOYSA-N
MW320.09 g/mol
LogP2.03
Rot. Bonds3

About 6-bromo-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one

6-bromo-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 164596836) has the molecular formula C10H8BrF2N3O2 and a molecular weight of 320.09 g/mol. Its IUPAC name is 6-bromo-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-bromo-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID164596836
Molecular FormulaC10H8BrF2N3O2
Molecular Weight320.09 g/mol
Exact Mass318.98
IUPAC Name6-bromo-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1nc2nc(OCC(F)F)c(Br)cc2c(=O)[nH]1
InChIInChI=1S/C10H8BrF2N3O2/c1-4-14-8-5(9(17)15-4)2-6(11)10(16-8)18-3-7(12)13/h2,7H,3H2,1H3,(H,14,15,16,17)
InChIKeyMJKGVDVPFNSEKS-UHFFFAOYSA-N
XLogP2.03
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.09
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-bromo-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 164596836) is 6-bromo-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-bromo-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-bromo-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one is Cc1nc2nc(OCC(F)F)c(Br)cc2c(=O)[nH]1.
What is the InChIKey of 6-bromo-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is MJKGVDVPFNSEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2N3O2/c1-4-14-8-5(9(17)15-4)2-6(11)10(16-8)18-3-7(12)13/h2,7H,3H2,1H3,(H,14,15,16,17).
What are the key properties of 6-bromo-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
6-bromo-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 320.09 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-(2,2-difluoroethoxy)-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 164596836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).