5-chloro-4-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1H-pyridazin-6-one

C12H10Cl2FN3O — CID 18095470

IUPAC5-chloro-4-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1H-pyridazin-6-one
SMILESCN(Cc1c(F)cccc1Cl)c1cn[nH]c(=O)c1Cl
InChIInChI=1S/C12H10Cl2FN3O/c1-18(10-5-16-17-12(19)11(10)14)6-7-8(13)3-2-4-9(7)15/h2-5H,6H2,1H3,(H,17,19)
InChIKeyRJFHWOSNRQNSFD-UHFFFAOYSA-N
MW302.14 g/mol
LogP2.85
Rot. Bonds3

About 5-chloro-4-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1H-pyridazin-6-one

5-chloro-4-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1H-pyridazin-6-one (PubChem CID 18095470) has the molecular formula C12H10Cl2FN3O and a molecular weight of 302.14 g/mol. Its IUPAC name is 5-chloro-4-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1H-pyridazin-6-one
PubChem CID18095470
Molecular FormulaC12H10Cl2FN3O
Molecular Weight302.14 g/mol
Exact Mass301.02
IUPAC Name5-chloro-4-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1H-pyridazin-6-one
SMILESCN(Cc1c(F)cccc1Cl)c1cn[nH]c(=O)c1Cl
InChIInChI=1S/C12H10Cl2FN3O/c1-18(10-5-16-17-12(19)11(10)14)6-7-8(13)3-2-4-9(7)15/h2-5H,6H2,1H3,(H,17,19)
InChIKeyRJFHWOSNRQNSFD-UHFFFAOYSA-N
XLogP2.85
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.14
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1H-pyridazin-6-one (CID 18095470) is 5-chloro-4-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1H-pyridazin-6-one is CN(Cc1c(F)cccc1Cl)c1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1H-pyridazin-6-one?
The InChIKey is RJFHWOSNRQNSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FN3O/c1-18(10-5-16-17-12(19)11(10)14)6-7-8(13)3-2-4-9(7)15/h2-5H,6H2,1H3,(H,17,19).
What are the key properties of 5-chloro-4-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1H-pyridazin-6-one?
5-chloro-4-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1H-pyridazin-6-one has a molecular weight of 302.14 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 18095470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).