3-bromo-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one

C14H8BrF2N3O — CID 46930537

IUPAC3-bromo-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one
SMILESCn1c(=O)c(Br)cc2cnnc(-c3ccc(F)cc3F)c21
InChIInChI=1S/C14H8BrF2N3O/c1-20-13-7(4-10(15)14(20)21)6-18-19-12(13)9-3-2-8(16)5-11(9)17/h2-6H,1H3
InChIKeyXOPMFJHFRCCISM-UHFFFAOYSA-N
MW352.14 g/mol
LogP3.04
Rot. Bonds1

About 3-bromo-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one

3-bromo-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one (PubChem CID 46930537) has the molecular formula C14H8BrF2N3O and a molecular weight of 352.14 g/mol. Its IUPAC name is 3-bromo-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one.

Molecular Properties

Compound Name3-bromo-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one
PubChem CID46930537
Molecular FormulaC14H8BrF2N3O
Molecular Weight352.14 g/mol
Exact Mass350.98
IUPAC Name3-bromo-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one
SMILESCn1c(=O)c(Br)cc2cnnc(-c3ccc(F)cc3F)c21
InChIInChI=1S/C14H8BrF2N3O/c1-20-13-7(4-10(15)14(20)21)6-18-19-12(13)9-3-2-8(16)5-11(9)17/h2-6H,1H3
InChIKeyXOPMFJHFRCCISM-UHFFFAOYSA-N
XLogP3.04
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.14
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2,4-difluorophenyl)-1-methyl-3-(pyridin-4-ylamino)pyrido[2,3-d]pyridazin-2-one
CID 67004197
3-(cyclohexylmethyl)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one
CID 58514576
1-(2,4-difluorophenyl)phthalazine
CID 175330738
8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one
CID 168887613
4-(2,4-difluorophenyl)-7,8-dimethylimidazo[1,5-a][1,3,5]triazin-6-one
CID 168887953
4-(2,4-difluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692598
4-bromo-6-fluoro-2-methylisoquinolin-1-one
CID 118021521
3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67887540
8-(2,4-difluorophenyl)-10-thia-1,3-diazatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one
CID 175797319
N-[2-(4-bromoanilino)-2-oxoethyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86948212
2-(2,4-difluorophenyl)-6-(methoxymethyl)pyridine-3-carboxylic acid
CID 130398862
2,5-dichloro-4-(2,4-difluorophenyl)pyrimidine
CID 171627408

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one?
The IUPAC name of 3-bromo-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one (CID 46930537) is 3-bromo-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one.
What is the SMILES notation for 3-bromo-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one?
The canonical SMILES for 3-bromo-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one is Cn1c(=O)c(Br)cc2cnnc(-c3ccc(F)cc3F)c21.
What is the InChIKey of 3-bromo-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one?
The InChIKey is XOPMFJHFRCCISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF2N3O/c1-20-13-7(4-10(15)14(20)21)6-18-19-12(13)9-3-2-8(16)5-11(9)17/h2-6H,1H3.
What are the key properties of 3-bromo-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one?
3-bromo-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one has a molecular weight of 352.14 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one is sourced from PubChem (CID 46930537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).