2-chloro-8-(2,4-difluorophenyl)pyrido[2,3-d]pyrimidin-7-one

C13H6ClF2N3O — CID 90825406

IUPAC2-chloro-8-(2,4-difluorophenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Cl)nc2n1-c1ccc(F)cc1F
InChIInChI=1S/C13H6ClF2N3O/c14-13-17-6-7-1-4-11(20)19(12(7)18-13)10-3-2-8(15)5-9(10)16/h1-6H
InChIKeyBWUMBTHZFLSZNG-UHFFFAOYSA-N
MW293.66 g/mol
LogP2.71
Rot. Bonds1

About 2-chloro-8-(2,4-difluorophenyl)pyrido[2,3-d]pyrimidin-7-one

2-chloro-8-(2,4-difluorophenyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 90825406) has the molecular formula C13H6ClF2N3O and a molecular weight of 293.66 g/mol. Its IUPAC name is 2-chloro-8-(2,4-difluorophenyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-chloro-8-(2,4-difluorophenyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID90825406
Molecular FormulaC13H6ClF2N3O
Molecular Weight293.66 g/mol
Exact Mass293.02
IUPAC Name2-chloro-8-(2,4-difluorophenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Cl)nc2n1-c1ccc(F)cc1F
InChIInChI=1S/C13H6ClF2N3O/c14-13-17-6-7-1-4-11(20)19(12(7)18-13)10-3-2-8(15)5-9(10)16/h1-6H
InChIKeyBWUMBTHZFLSZNG-UHFFFAOYSA-N
XLogP2.71
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.66
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2,4-difluorophenyl)-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 143601346
2-chloro-6-(2,4-difluorophenoxy)pyrido[3,4-d]pyrimidine
CID 11460591
4-(2-chloro-4-fluorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 10367725
4-chloro-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;4-chloro-8-(2,4-difluorophenyl)-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
CID 158334982
2,5-dichloro-4-(2,4-difluorophenyl)pyrimidine
CID 171627408
6-bromo-2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine
CID 79302170
4-chloro-3-(2,4-difluorophenyl)-2-oxo-1,3-thiazole-5-carbonitrile
CID 117062242
2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine
CID 79289374
2-chloro-4-(2-chloro-5-fluorophenyl)-5-fluoropyrimidine
CID 105396029
6-chloro-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 134346812
3-(2,4-difluorophenyl)-2-methylquinazolin-4-one
CID 2824755
1-(4-fluorophenyl)-9-methylbenzo[h][1,6]naphthyridin-2-one
CID 118148099

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-(2,4-difluorophenyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-chloro-8-(2,4-difluorophenyl)pyrido[2,3-d]pyrimidin-7-one (CID 90825406) is 2-chloro-8-(2,4-difluorophenyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-chloro-8-(2,4-difluorophenyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-chloro-8-(2,4-difluorophenyl)pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(Cl)nc2n1-c1ccc(F)cc1F.
What is the InChIKey of 2-chloro-8-(2,4-difluorophenyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BWUMBTHZFLSZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF2N3O/c14-13-17-6-7-1-4-11(20)19(12(7)18-13)10-3-2-8(15)5-9(10)16/h1-6H.
What are the key properties of 2-chloro-8-(2,4-difluorophenyl)pyrido[2,3-d]pyrimidin-7-one?
2-chloro-8-(2,4-difluorophenyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 293.66 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-(2,4-difluorophenyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 90825406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).