1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2,2,2-trifluoroethanone

C9H7ClF3N3O — CID 130780997

IUPAC1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCc2cc(Cl)nnc2C1)C(F)(F)F
InChIInChI=1S/C9H7ClF3N3O/c10-7-3-5-1-2-16(4-6(5)14-15-7)8(17)9(11,12)13/h3H,1-2,4H2
InChIKeyYKQWMGHUSBNKSU-UHFFFAOYSA-N
MW265.62 g/mol
LogP1.58
Rot. Bonds

About 1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2,2,2-trifluoroethanone

1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2,2,2-trifluoroethanone (PubChem CID 130780997) has the molecular formula C9H7ClF3N3O and a molecular weight of 265.62 g/mol. Its IUPAC name is 1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2,2,2-trifluoroethanone
PubChem CID130780997
Molecular FormulaC9H7ClF3N3O
Molecular Weight265.62 g/mol
Exact Mass265.02
IUPAC Name1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCc2cc(Cl)nnc2C1)C(F)(F)F
InChIInChI=1S/C9H7ClF3N3O/c10-7-3-5-1-2-16(4-6(5)14-15-7)8(17)9(11,12)13/h3H,1-2,4H2
InChIKeyYKQWMGHUSBNKSU-UHFFFAOYSA-N
XLogP1.58
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.62
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2,2,2-trifluoroethanone (CID 130780997) is 1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2,2,2-trifluoroethanone is O=C(N1CCc2cc(Cl)nnc2C1)C(F)(F)F.
What is the InChIKey of 1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2,2,2-trifluoroethanone?
The InChIKey is YKQWMGHUSBNKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3N3O/c10-7-3-5-1-2-16(4-6(5)14-15-7)8(17)9(11,12)13/h3H,1-2,4H2.
What are the key properties of 1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2,2,2-trifluoroethanone?
1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2,2,2-trifluoroethanone has a molecular weight of 265.62 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 130780997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).