2-(4-chloro-3-fluorophenyl)-N-methyl-1-pyridazin-4-ylethanamine

C13H13ClFN3 — CID 107892247

IUPAC2-(4-chloro-3-fluorophenyl)-N-methyl-1-pyridazin-4-ylethanamine
SMILESCNC(Cc1ccc(Cl)c(F)c1)c1ccnnc1
InChIInChI=1S/C13H13ClFN3/c1-16-13(10-4-5-17-18-8-10)7-9-2-3-11(14)12(15)6-9/h2-6,8,13,16H,7H2,1H3
InChIKeyZXURWNOHCWXXGF-UHFFFAOYSA-N
MW265.72 g/mol
LogP2.77
Rot. Bonds4

About 2-(4-chloro-3-fluorophenyl)-N-methyl-1-pyridazin-4-ylethanamine

2-(4-chloro-3-fluorophenyl)-N-methyl-1-pyridazin-4-ylethanamine (PubChem CID 107892247) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-N-methyl-1-pyridazin-4-ylethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-N-methyl-1-pyridazin-4-ylethanamine
PubChem CID107892247
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name2-(4-chloro-3-fluorophenyl)-N-methyl-1-pyridazin-4-ylethanamine
SMILESCNC(Cc1ccc(Cl)c(F)c1)c1ccnnc1
InChIInChI=1S/C13H13ClFN3/c1-16-13(10-4-5-17-18-8-10)7-9-2-3-11(14)12(15)6-9/h2-6,8,13,16H,7H2,1H3
InChIKeyZXURWNOHCWXXGF-UHFFFAOYSA-N
XLogP2.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-N-methyl-1-pyridazin-4-ylethanamine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-N-methyl-1-pyridazin-4-ylethanamine (CID 107892247) is 2-(4-chloro-3-fluorophenyl)-N-methyl-1-pyridazin-4-ylethanamine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-N-methyl-1-pyridazin-4-ylethanamine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-N-methyl-1-pyridazin-4-ylethanamine is CNC(Cc1ccc(Cl)c(F)c1)c1ccnnc1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-N-methyl-1-pyridazin-4-ylethanamine?
The InChIKey is ZXURWNOHCWXXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-16-13(10-4-5-17-18-8-10)7-9-2-3-11(14)12(15)6-9/h2-6,8,13,16H,7H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-N-methyl-1-pyridazin-4-ylethanamine?
2-(4-chloro-3-fluorophenyl)-N-methyl-1-pyridazin-4-ylethanamine has a molecular weight of 265.72 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-N-methyl-1-pyridazin-4-ylethanamine is sourced from PubChem (CID 107892247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).