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

C9H8ClF2N3O — CID 178042617

IUPAC4-chloro-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC(F)(F)C1CC(=O)Nc2ncnc(Cl)c21
InChIInChI=1S/C9H8ClF2N3O/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)
InChIKeyUENBMONANAJRKX-UHFFFAOYSA-N
MW247.63 g/mol
LogP2.21
Rot. Bonds1

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

4-chloro-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 178042617) has the molecular formula C9H8ClF2N3O and a molecular weight of 247.63 g/mol. Its IUPAC name is 4-chloro-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-chloro-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID178042617
Molecular FormulaC9H8ClF2N3O
Molecular Weight247.63 g/mol
Exact Mass247.03
IUPAC Name4-chloro-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC(F)(F)C1CC(=O)Nc2ncnc(Cl)c21
InChIInChI=1S/C9H8ClF2N3O/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)
InChIKeyUENBMONANAJRKX-UHFFFAOYSA-N
XLogP2.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.63
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

4-amino-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 356367
4-chloro-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one
CID 59421449
4-Amino-7-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
CID 82414948
(R)-4-chloro-5-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one
CID 86666575
4-chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one
CID 86666579
(R)-4-chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one
CID 86666581
4-piperidin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 141291416
4-piperazin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 155038434
4-[7-oxo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 166879722
4-chloro-5-(difluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 178042485
4-bromo-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 178042534
(5R)-4-chloro-5-(difluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 178042550

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-chloro-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 178042617) is 4-chloro-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-chloro-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-chloro-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is CC(F)(F)C1CC(=O)Nc2ncnc(Cl)c21.
What is the InChIKey of 4-chloro-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is UENBMONANAJRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2N3O/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).
What are the key properties of 4-chloro-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
4-chloro-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 247.63 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(1,1-difluoroethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 178042617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).