8-(2-fluorophenyl)-3-phenyl-1H-pyrido[2,3-d]pyridazin-2-one

C19H12FN3O — CID 101396327

IUPAC8-(2-fluorophenyl)-3-phenyl-1H-pyrido[2,3-d]pyridazin-2-one
SMILESO=c1[nH]c2c(-c3ccccc3F)nncc2cc1-c1ccccc1
InChIInChI=1S/C19H12FN3O/c20-16-9-5-4-8-14(16)18-17-13(11-21-23-18)10-15(19(24)22-17)12-6-2-1-3-7-12/h1-11H,(H,22,24)
InChIKeyITXUBJWYEDNGKA-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.79
Rot. Bonds2

About 8-(2-fluorophenyl)-3-phenyl-1H-pyrido[2,3-d]pyridazin-2-one

8-(2-fluorophenyl)-3-phenyl-1H-pyrido[2,3-d]pyridazin-2-one (PubChem CID 101396327) has the molecular formula C19H12FN3O and a molecular weight of 317.32 g/mol. Its IUPAC name is 8-(2-fluorophenyl)-3-phenyl-1H-pyrido[2,3-d]pyridazin-2-one.

Molecular Properties

Compound Name8-(2-fluorophenyl)-3-phenyl-1H-pyrido[2,3-d]pyridazin-2-one
PubChem CID101396327
Molecular FormulaC19H12FN3O
Molecular Weight317.32 g/mol
Exact Mass317.10
IUPAC Name8-(2-fluorophenyl)-3-phenyl-1H-pyrido[2,3-d]pyridazin-2-one
SMILESO=c1[nH]c2c(-c3ccccc3F)nncc2cc1-c1ccccc1
InChIInChI=1S/C19H12FN3O/c20-16-9-5-4-8-14(16)18-17-13(11-21-23-18)10-15(19(24)22-17)12-6-2-1-3-7-12/h1-11H,(H,22,24)
InChIKeyITXUBJWYEDNGKA-UHFFFAOYSA-N
XLogP3.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorophenyl)-3-phenyl-1H-pyrido[2,3-d]pyridazin-2-one?
The IUPAC name of 8-(2-fluorophenyl)-3-phenyl-1H-pyrido[2,3-d]pyridazin-2-one (CID 101396327) is 8-(2-fluorophenyl)-3-phenyl-1H-pyrido[2,3-d]pyridazin-2-one.
What is the SMILES notation for 8-(2-fluorophenyl)-3-phenyl-1H-pyrido[2,3-d]pyridazin-2-one?
The canonical SMILES for 8-(2-fluorophenyl)-3-phenyl-1H-pyrido[2,3-d]pyridazin-2-one is O=c1[nH]c2c(-c3ccccc3F)nncc2cc1-c1ccccc1.
What is the InChIKey of 8-(2-fluorophenyl)-3-phenyl-1H-pyrido[2,3-d]pyridazin-2-one?
The InChIKey is ITXUBJWYEDNGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O/c20-16-9-5-4-8-14(16)18-17-13(11-21-23-18)10-15(19(24)22-17)12-6-2-1-3-7-12/h1-11H,(H,22,24).
What are the key properties of 8-(2-fluorophenyl)-3-phenyl-1H-pyrido[2,3-d]pyridazin-2-one?
8-(2-fluorophenyl)-3-phenyl-1H-pyrido[2,3-d]pyridazin-2-one has a molecular weight of 317.32 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluorophenyl)-3-phenyl-1H-pyrido[2,3-d]pyridazin-2-one is sourced from PubChem (CID 101396327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).