[3-(2-bromo-4-fluorophenoxy)pyridazin-4-yl]methanamine

C11H9BrFN3O — CID 80507794

IUPAC[3-(2-bromo-4-fluorophenoxy)pyridazin-4-yl]methanamine
SMILESNCc1ccnnc1Oc1ccc(F)cc1Br
InChIInChI=1S/C11H9BrFN3O/c12-9-5-8(13)1-2-10(9)17-11-7(6-14)3-4-15-16-11/h1-5H,6,14H2
InChIKeyLKGCAUVGZYRZEC-UHFFFAOYSA-N
MW298.12 g/mol
LogP2.63
Rot. Bonds3

About [3-(2-bromo-4-fluorophenoxy)pyridazin-4-yl]methanamine

[3-(2-bromo-4-fluorophenoxy)pyridazin-4-yl]methanamine (PubChem CID 80507794) has the molecular formula C11H9BrFN3O and a molecular weight of 298.12 g/mol. Its IUPAC name is [3-(2-bromo-4-fluorophenoxy)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2-bromo-4-fluorophenoxy)pyridazin-4-yl]methanamine
PubChem CID80507794
Molecular FormulaC11H9BrFN3O
Molecular Weight298.12 g/mol
Exact Mass296.99
IUPAC Name[3-(2-bromo-4-fluorophenoxy)pyridazin-4-yl]methanamine
SMILESNCc1ccnnc1Oc1ccc(F)cc1Br
InChIInChI=1S/C11H9BrFN3O/c12-9-5-8(13)1-2-10(9)17-11-7(6-14)3-4-15-16-11/h1-5H,6,14H2
InChIKeyLKGCAUVGZYRZEC-UHFFFAOYSA-N
XLogP2.63
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-chloro-4-fluorophenoxy)pyridazin-4-yl]methanamine
CID 80507987
[2-(2-bromo-4-fluorophenoxy)quinolin-3-yl]methanamine
CID 28965989
[3-(2-bromo-4-fluorophenoxy)-5,6-diethylpyridazin-4-yl]methanamine
CID 80508317
[2-(2-bromo-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391301
[2-(2-bromo-4-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478652
2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80640534
3-(2-bromo-4-fluorophenoxy)pyrazine-2-carboxamide
CID 55103097
(3-phenoxypyridazin-4-yl)methanamine
CID 80507739
[2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64719510
N-[2-[4-(aminomethyl)pyridazin-3-yl]oxyphenyl]acetamide
CID 80507952
2-[4-(2-bromo-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63816477
[3-(4-ethoxyphenoxy)pyridazin-4-yl]methanamine
CID 80508075

Frequently Asked Questions

What is the IUPAC name of [3-(2-bromo-4-fluorophenoxy)pyridazin-4-yl]methanamine?
The IUPAC name of [3-(2-bromo-4-fluorophenoxy)pyridazin-4-yl]methanamine (CID 80507794) is [3-(2-bromo-4-fluorophenoxy)pyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(2-bromo-4-fluorophenoxy)pyridazin-4-yl]methanamine?
The canonical SMILES for [3-(2-bromo-4-fluorophenoxy)pyridazin-4-yl]methanamine is NCc1ccnnc1Oc1ccc(F)cc1Br.
What is the InChIKey of [3-(2-bromo-4-fluorophenoxy)pyridazin-4-yl]methanamine?
The InChIKey is LKGCAUVGZYRZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O/c12-9-5-8(13)1-2-10(9)17-11-7(6-14)3-4-15-16-11/h1-5H,6,14H2.
What are the key properties of [3-(2-bromo-4-fluorophenoxy)pyridazin-4-yl]methanamine?
[3-(2-bromo-4-fluorophenoxy)pyridazin-4-yl]methanamine has a molecular weight of 298.12 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-bromo-4-fluorophenoxy)pyridazin-4-yl]methanamine is sourced from PubChem (CID 80507794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).