3-bromo-5-[(4-chlorophenyl)methyl]-7H-pyrido[2,3-d]pyridazin-8-one

C14H9BrClN3O — CID 151631626

IUPAC3-bromo-5-[(4-chlorophenyl)methyl]-7H-pyrido[2,3-d]pyridazin-8-one
SMILESO=c1[nH]nc(Cc2ccc(Cl)cc2)c2cc(Br)cnc12
InChIInChI=1S/C14H9BrClN3O/c15-9-6-11-12(5-8-1-3-10(16)4-2-8)18-19-14(20)13(11)17-7-9/h1-4,6-7H,5H2,(H,19,20)
InChIKeyQQQDWKMWAWTLSJ-UHFFFAOYSA-N
MW350.60 g/mol
LogP3.32
Rot. Bonds2

About 3-bromo-5-[(4-chlorophenyl)methyl]-7H-pyrido[2,3-d]pyridazin-8-one

3-bromo-5-[(4-chlorophenyl)methyl]-7H-pyrido[2,3-d]pyridazin-8-one (PubChem CID 151631626) has the molecular formula C14H9BrClN3O and a molecular weight of 350.60 g/mol. Its IUPAC name is 3-bromo-5-[(4-chlorophenyl)methyl]-7H-pyrido[2,3-d]pyridazin-8-one.

Molecular Properties

Compound Name3-bromo-5-[(4-chlorophenyl)methyl]-7H-pyrido[2,3-d]pyridazin-8-one
PubChem CID151631626
Molecular FormulaC14H9BrClN3O
Molecular Weight350.60 g/mol
Exact Mass348.96
IUPAC Name3-bromo-5-[(4-chlorophenyl)methyl]-7H-pyrido[2,3-d]pyridazin-8-one
SMILESO=c1[nH]nc(Cc2ccc(Cl)cc2)c2cc(Br)cnc12
InChIInChI=1S/C14H9BrClN3O/c15-9-6-11-12(5-8-1-3-10(16)4-2-8)18-19-14(20)13(11)17-7-9/h1-4,6-7H,5H2,(H,19,20)
InChIKeyQQQDWKMWAWTLSJ-UHFFFAOYSA-N
XLogP3.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.60
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(4-chlorophenyl)methyl]-7H-pyrido[2,3-d]pyridazin-8-one?
The IUPAC name of 3-bromo-5-[(4-chlorophenyl)methyl]-7H-pyrido[2,3-d]pyridazin-8-one (CID 151631626) is 3-bromo-5-[(4-chlorophenyl)methyl]-7H-pyrido[2,3-d]pyridazin-8-one.
What is the SMILES notation for 3-bromo-5-[(4-chlorophenyl)methyl]-7H-pyrido[2,3-d]pyridazin-8-one?
The canonical SMILES for 3-bromo-5-[(4-chlorophenyl)methyl]-7H-pyrido[2,3-d]pyridazin-8-one is O=c1[nH]nc(Cc2ccc(Cl)cc2)c2cc(Br)cnc12.
What is the InChIKey of 3-bromo-5-[(4-chlorophenyl)methyl]-7H-pyrido[2,3-d]pyridazin-8-one?
The InChIKey is QQQDWKMWAWTLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3O/c15-9-6-11-12(5-8-1-3-10(16)4-2-8)18-19-14(20)13(11)17-7-9/h1-4,6-7H,5H2,(H,19,20).
What are the key properties of 3-bromo-5-[(4-chlorophenyl)methyl]-7H-pyrido[2,3-d]pyridazin-8-one?
3-bromo-5-[(4-chlorophenyl)methyl]-7H-pyrido[2,3-d]pyridazin-8-one has a molecular weight of 350.60 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(4-chlorophenyl)methyl]-7H-pyrido[2,3-d]pyridazin-8-one is sourced from PubChem (CID 151631626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).