6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine

C15H16BrFN4 — CID 167759809

IUPAC6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine
SMILESNc1ccc(C2CCCN2Cc2ccc(F)cc2Br)nn1
InChIInChI=1S/C15H16BrFN4/c16-12-8-11(17)4-3-10(12)9-21-7-1-2-14(21)13-5-6-15(18)20-19-13/h3-6,8,14H,1-2,7,9H2,(H2,18,20)
InChIKeyYLPUECVLGPPPJU-UHFFFAOYSA-N
MW351.22 g/mol
LogP3.30
Rot. Bonds3

About 6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine

6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine (PubChem CID 167759809) has the molecular formula C15H16BrFN4 and a molecular weight of 351.22 g/mol. Its IUPAC name is 6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine
PubChem CID167759809
Molecular FormulaC15H16BrFN4
Molecular Weight351.22 g/mol
Exact Mass350.05
IUPAC Name6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine
SMILESNc1ccc(C2CCCN2Cc2ccc(F)cc2Br)nn1
InChIInChI=1S/C15H16BrFN4/c16-12-8-11(17)4-3-10(12)9-21-7-1-2-14(21)13-5-6-15(18)20-19-13/h3-6,8,14H,1-2,7,9H2,(H2,18,20)
InChIKeyYLPUECVLGPPPJU-UHFFFAOYSA-N
XLogP3.30
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine?
The IUPAC name of 6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine (CID 167759809) is 6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine.
What is the SMILES notation for 6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine?
The canonical SMILES for 6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine is Nc1ccc(C2CCCN2Cc2ccc(F)cc2Br)nn1.
What is the InChIKey of 6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine?
The InChIKey is YLPUECVLGPPPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN4/c16-12-8-11(17)4-3-10(12)9-21-7-1-2-14(21)13-5-6-15(18)20-19-13/h3-6,8,14H,1-2,7,9H2,(H2,18,20).
What are the key properties of 6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine?
6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine has a molecular weight of 351.22 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine is sourced from PubChem (CID 167759809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).