6-(3-chloro-2-fluorophenyl)-4-methyl-4,5-dihydropyridazin-3-amine

C11H11ClFN3 — CID 114489033

IUPAC6-(3-chloro-2-fluorophenyl)-4-methyl-4,5-dihydropyridazin-3-amine
SMILESCC1CC(c2cccc(Cl)c2F)=NN=C1N
InChIInChI=1S/C11H11ClFN3/c1-6-5-9(15-16-11(6)14)7-3-2-4-8(12)10(7)13/h2-4,6H,5H2,1H3,(H2,14,16)
InChIKeyJJRKOKDWUNRZRI-UHFFFAOYSA-N
MW239.68 g/mol
LogP2.58
Rot. Bonds1

About 6-(3-chloro-2-fluorophenyl)-4-methyl-4,5-dihydropyridazin-3-amine

6-(3-chloro-2-fluorophenyl)-4-methyl-4,5-dihydropyridazin-3-amine (PubChem CID 114489033) has the molecular formula C11H11ClFN3 and a molecular weight of 239.68 g/mol. Its IUPAC name is 6-(3-chloro-2-fluorophenyl)-4-methyl-4,5-dihydropyridazin-3-amine.

Molecular Properties

Compound Name6-(3-chloro-2-fluorophenyl)-4-methyl-4,5-dihydropyridazin-3-amine
PubChem CID114489033
Molecular FormulaC11H11ClFN3
Molecular Weight239.68 g/mol
Exact Mass239.06
IUPAC Name6-(3-chloro-2-fluorophenyl)-4-methyl-4,5-dihydropyridazin-3-amine
SMILESCC1CC(c2cccc(Cl)c2F)=NN=C1N
InChIInChI=1S/C11H11ClFN3/c1-6-5-9(15-16-11(6)14)7-3-2-4-8(12)10(7)13/h2-4,6H,5H2,1H3,(H2,14,16)
InChIKeyJJRKOKDWUNRZRI-UHFFFAOYSA-N
XLogP2.58
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-fluorophenyl)-4-methyl-4,5-dihydropyridazin-3-amine?
The IUPAC name of 6-(3-chloro-2-fluorophenyl)-4-methyl-4,5-dihydropyridazin-3-amine (CID 114489033) is 6-(3-chloro-2-fluorophenyl)-4-methyl-4,5-dihydropyridazin-3-amine.
What is the SMILES notation for 6-(3-chloro-2-fluorophenyl)-4-methyl-4,5-dihydropyridazin-3-amine?
The canonical SMILES for 6-(3-chloro-2-fluorophenyl)-4-methyl-4,5-dihydropyridazin-3-amine is CC1CC(c2cccc(Cl)c2F)=NN=C1N.
What is the InChIKey of 6-(3-chloro-2-fluorophenyl)-4-methyl-4,5-dihydropyridazin-3-amine?
The InChIKey is JJRKOKDWUNRZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3/c1-6-5-9(15-16-11(6)14)7-3-2-4-8(12)10(7)13/h2-4,6H,5H2,1H3,(H2,14,16).
What are the key properties of 6-(3-chloro-2-fluorophenyl)-4-methyl-4,5-dihydropyridazin-3-amine?
6-(3-chloro-2-fluorophenyl)-4-methyl-4,5-dihydropyridazin-3-amine has a molecular weight of 239.68 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-fluorophenyl)-4-methyl-4,5-dihydropyridazin-3-amine is sourced from PubChem (CID 114489033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).