N-[(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethyl]ethanamine

C13H13BrFN3 — CID 106647759

IUPACN-[(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethyl]ethanamine
SMILESCCNC(c1ccnnc1)c1cccc(Br)c1F
InChIInChI=1S/C13H13BrFN3/c1-2-16-13(9-6-7-17-18-8-9)10-4-3-5-11(14)12(10)15/h3-8,13,16H,2H2,1H3
InChIKeyBYSXQWMQBPBIJH-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.08
Rot. Bonds4

About N-[(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethyl]ethanamine

N-[(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethyl]ethanamine (PubChem CID 106647759) has the molecular formula C13H13BrFN3 and a molecular weight of 310.17 g/mol. Its IUPAC name is N-[(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethyl]ethanamine
PubChem CID106647759
Molecular FormulaC13H13BrFN3
Molecular Weight310.17 g/mol
Exact Mass309.03
IUPAC NameN-[(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethyl]ethanamine
SMILESCCNC(c1ccnnc1)c1cccc(Br)c1F
InChIInChI=1S/C13H13BrFN3/c1-2-16-13(9-6-7-17-18-8-9)10-4-3-5-11(14)12(10)15/h3-8,13,16H,2H2,1H3
InChIKeyBYSXQWMQBPBIJH-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 106645324
N-[(2-fluoro-3-methoxyphenyl)-pyridazin-4-ylmethyl]ethanamine
CID 105174724
N-[(3-bromo-2,6-difluorophenyl)-pyridazin-4-ylmethyl]ethanamine
CID 106944428
N-[(3-bromo-2-fluorophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 107952538
N-[(3-bromo-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 106645388
N-[(4-bromo-2,6-difluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106648036
N-[isoquinolin-5-yl(pyridazin-4-yl)methyl]ethanamine
CID 105143467
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106646204
N-[pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 105141520
N-[(3-bromo-2-fluorophenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 107953661
N-[(4-bromo-3-chloro-2-fluorophenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 106764348
N-[1-benzothiophen-7-yl(pyridazin-4-yl)methyl]ethanamine
CID 105172732

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethyl]ethanamine?
The IUPAC name of N-[(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethyl]ethanamine (CID 106647759) is N-[(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethyl]ethanamine is CCNC(c1ccnnc1)c1cccc(Br)c1F.
What is the InChIKey of N-[(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethyl]ethanamine?
The InChIKey is BYSXQWMQBPBIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3/c1-2-16-13(9-6-7-17-18-8-9)10-4-3-5-11(14)12(10)15/h3-8,13,16H,2H2,1H3.
What are the key properties of N-[(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethyl]ethanamine?
N-[(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethyl]ethanamine has a molecular weight of 310.17 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethyl]ethanamine is sourced from PubChem (CID 106647759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).