7-[(4-bromo-2-fluorophenyl)methyl]pyrido[2,3-d]pyridazin-8-one

C14H9BrFN3O — CID 173345182

IUPAC7-[(4-bromo-2-fluorophenyl)methyl]pyrido[2,3-d]pyridazin-8-one
SMILESO=c1c2ncccc2cnn1Cc1ccc(Br)cc1F
InChIInChI=1S/C14H9BrFN3O/c15-11-4-3-10(12(16)6-11)8-19-14(20)13-9(7-18-19)2-1-5-17-13/h1-7H,8H2
InChIKeyYIIBMPZJIIBTGI-UHFFFAOYSA-N
MW334.15 g/mol
LogP2.74
Rot. Bonds2

About 7-[(4-bromo-2-fluorophenyl)methyl]pyrido[2,3-d]pyridazin-8-one

7-[(4-bromo-2-fluorophenyl)methyl]pyrido[2,3-d]pyridazin-8-one (PubChem CID 173345182) has the molecular formula C14H9BrFN3O and a molecular weight of 334.15 g/mol. Its IUPAC name is 7-[(4-bromo-2-fluorophenyl)methyl]pyrido[2,3-d]pyridazin-8-one.

Molecular Properties

Compound Name7-[(4-bromo-2-fluorophenyl)methyl]pyrido[2,3-d]pyridazin-8-one
PubChem CID173345182
Molecular FormulaC14H9BrFN3O
Molecular Weight334.15 g/mol
Exact Mass332.99
IUPAC Name7-[(4-bromo-2-fluorophenyl)methyl]pyrido[2,3-d]pyridazin-8-one
SMILESO=c1c2ncccc2cnn1Cc1ccc(Br)cc1F
InChIInChI=1S/C14H9BrFN3O/c15-11-4-3-10(12(16)6-11)8-19-14(20)13-9(7-18-19)2-1-5-17-13/h1-7H,8H2
InChIKeyYIIBMPZJIIBTGI-UHFFFAOYSA-N
XLogP2.74
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-bromo-2-fluorophenyl)methyl]pyrido[2,3-d]pyridazin-8-one?
The IUPAC name of 7-[(4-bromo-2-fluorophenyl)methyl]pyrido[2,3-d]pyridazin-8-one (CID 173345182) is 7-[(4-bromo-2-fluorophenyl)methyl]pyrido[2,3-d]pyridazin-8-one.
What is the SMILES notation for 7-[(4-bromo-2-fluorophenyl)methyl]pyrido[2,3-d]pyridazin-8-one?
The canonical SMILES for 7-[(4-bromo-2-fluorophenyl)methyl]pyrido[2,3-d]pyridazin-8-one is O=c1c2ncccc2cnn1Cc1ccc(Br)cc1F.
What is the InChIKey of 7-[(4-bromo-2-fluorophenyl)methyl]pyrido[2,3-d]pyridazin-8-one?
The InChIKey is YIIBMPZJIIBTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O/c15-11-4-3-10(12(16)6-11)8-19-14(20)13-9(7-18-19)2-1-5-17-13/h1-7H,8H2.
What are the key properties of 7-[(4-bromo-2-fluorophenyl)methyl]pyrido[2,3-d]pyridazin-8-one?
7-[(4-bromo-2-fluorophenyl)methyl]pyrido[2,3-d]pyridazin-8-one has a molecular weight of 334.15 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-bromo-2-fluorophenyl)methyl]pyrido[2,3-d]pyridazin-8-one is sourced from PubChem (CID 173345182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).