(5S)-4-bromo-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C9H8BrF2N3O — CID 178042652

IUPAC(5S)-4-bromo-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC(F)(F)[C@H]1CC(=O)Nc2ncnc(Br)c21
InChIInChI=1S/C9H8BrF2N3O/c1-9(11,12)4-2-5(16)15-8-6(4)7(10)13-3-14-8/h3-4H,2H2,1H3,(H,13,14,15,16)/t4-/m0/s1
InChIKeyGWUJSCMBRHTZEU-BYPYZUCNSA-N
MW292.08 g/mol
LogP2.32
Rot. Bonds1

About (5S)-4-bromo-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

(5S)-4-bromo-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 178042652) has the molecular formula C9H8BrF2N3O and a molecular weight of 292.08 g/mol. Its IUPAC name is (5S)-4-bromo-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name(5S)-4-bromo-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID178042652
Molecular FormulaC9H8BrF2N3O
Molecular Weight292.08 g/mol
Exact Mass290.98
IUPAC Name(5S)-4-bromo-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC(F)(F)[C@H]1CC(=O)Nc2ncnc(Br)c21
InChIInChI=1S/C9H8BrF2N3O/c1-9(11,12)4-2-5(16)15-8-6(4)7(10)13-3-14-8/h3-4H,2H2,1H3,(H,13,14,15,16)/t4-/m0/s1
InChIKeyGWUJSCMBRHTZEU-BYPYZUCNSA-N
XLogP2.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.08
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-4-bromo-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of (5S)-4-bromo-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 178042652) is (5S)-4-bromo-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for (5S)-4-bromo-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for (5S)-4-bromo-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is CC(F)(F)[C@H]1CC(=O)Nc2ncnc(Br)c21.
What is the InChIKey of (5S)-4-bromo-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GWUJSCMBRHTZEU-BYPYZUCNSA-N. The full InChI is InChI=1S/C9H8BrF2N3O/c1-9(11,12)4-2-5(16)15-8-6(4)7(10)13-3-14-8/h3-4H,2H2,1H3,(H,13,14,15,16)/t4-/m0/s1.
What are the key properties of (5S)-4-bromo-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
(5S)-4-bromo-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 292.08 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-bromo-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 178042652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).