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

C9H9ClFN3O — CID 156864921

IUPAC1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2-fluoroethanone
SMILESO=C(CF)N1CCc2cc(Cl)nnc2C1
InChIInChI=1S/C9H9ClFN3O/c10-8-3-6-1-2-14(9(15)4-11)5-7(6)12-13-8/h3H,1-2,4-5H2
InChIKeyCFKJLCBUYKGRHM-UHFFFAOYSA-N
MW229.64 g/mol
LogP0.98
Rot. Bonds1

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

1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2-fluoroethanone (PubChem CID 156864921) has the molecular formula C9H9ClFN3O and a molecular weight of 229.64 g/mol. Its IUPAC name is 1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2-fluoroethanone.

Molecular Properties

Compound Name1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2-fluoroethanone
PubChem CID156864921
Molecular FormulaC9H9ClFN3O
Molecular Weight229.64 g/mol
Exact Mass229.04
IUPAC Name1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2-fluoroethanone
SMILESO=C(CF)N1CCc2cc(Cl)nnc2C1
InChIInChI=1S/C9H9ClFN3O/c10-8-3-6-1-2-14(9(15)4-11)5-7(6)12-13-8/h3H,1-2,4-5H2
InChIKeyCFKJLCBUYKGRHM-UHFFFAOYSA-N
XLogP0.98
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.64
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

ethyl 3-chloro-5H,6H,7H,8H-pyrido(4,3-c)pyridazine-6-carboxylate
CID 12582766
methyl 3-chloro-5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate
CID 53791974
3-chloro-5H,6H,7H,8H-pyrido(3,4-c)pyridazine hydrochloride
CID 86346446
3-chloro-6-methyl-5H,6H,7H,8H-pyrido(4,3-c)pyridazine
CID 62783672
3-Chloro-5,6,7,8-tetrahydropyrido[3,4-C]pyridazine
CID 45789678
1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2,2,2-trifluoroethanone
CID 130780997
3-Chloro-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridazine
CID 104513770
1-[(6-Chloropyridazin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 104513961
1-[(6-Chloropyridazin-3-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
CID 113421374
3-chloro-8-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylic acid
CID 20441541
3-chloro-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylic acid
CID 20441546
3-Chloro-6-hexahydrobenzoyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
CID 20441548

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2-fluoroethanone?
The IUPAC name of 1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2-fluoroethanone (CID 156864921) is 1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2-fluoroethanone.
What is the SMILES notation for 1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2-fluoroethanone?
The canonical SMILES for 1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2-fluoroethanone is O=C(CF)N1CCc2cc(Cl)nnc2C1.
What is the InChIKey of 1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2-fluoroethanone?
The InChIKey is CFKJLCBUYKGRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN3O/c10-8-3-6-1-2-14(9(15)4-11)5-7(6)12-13-8/h3H,1-2,4-5H2.
What are the key properties of 1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2-fluoroethanone?
1-(3-chloro-6,8-dihydro-5H-pyrido[3,4-c]pyridazin-7-yl)-2-fluoroethanone has a molecular weight of 229.64 g/mol, XLogP of 0.98, 1 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-fluoroethanone is sourced from PubChem (CID 156864921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).