[6-(2-bromo-4-methoxyphenoxy)pyridazin-3-yl]methanamine

C12H12BrN3O2 — CID 104708330

IUPAC[6-(2-bromo-4-methoxyphenoxy)pyridazin-3-yl]methanamine
SMILESCOc1ccc(Oc2ccc(CN)nn2)c(Br)c1
InChIInChI=1S/C12H12BrN3O2/c1-17-9-3-4-11(10(13)6-9)18-12-5-2-8(7-14)15-16-12/h2-6H,7,14H2,1H3
InChIKeyMXZHAKBDSRWUMP-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.50
Rot. Bonds4

About [6-(2-bromo-4-methoxyphenoxy)pyridazin-3-yl]methanamine

[6-(2-bromo-4-methoxyphenoxy)pyridazin-3-yl]methanamine (PubChem CID 104708330) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is [6-(2-bromo-4-methoxyphenoxy)pyridazin-3-yl]methanamine.

Molecular Properties

Compound Name[6-(2-bromo-4-methoxyphenoxy)pyridazin-3-yl]methanamine
PubChem CID104708330
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name[6-(2-bromo-4-methoxyphenoxy)pyridazin-3-yl]methanamine
SMILESCOc1ccc(Oc2ccc(CN)nn2)c(Br)c1
InChIInChI=1S/C12H12BrN3O2/c1-17-9-3-4-11(10(13)6-9)18-12-5-2-8(7-14)15-16-12/h2-6H,7,14H2,1H3
InChIKeyMXZHAKBDSRWUMP-UHFFFAOYSA-N
XLogP2.50
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]methanamine
CID 113443515
[6-(3-methoxyphenoxy)pyridazin-3-yl]methanamine
CID 62297633
6-(2-bromo-4-methoxyphenoxy)pyridin-3-amine
CID 104706426
[2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine
CID 114880011
6-(2-bromo-4-methoxyphenoxy)pyridine-2-carbothioamide
CID 104707183
5-(2-bromo-4-methoxyphenoxy)pyrazin-2-amine
CID 104708756
[4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine
CID 104706389
[1-[2-(2-bromo-4-methoxyphenoxy)ethyl]triazol-4-yl]methanamine
CID 104708429
[2-(2-bromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine
CID 104706374
[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine
CID 113443511
[2-(2-bromo-4-methoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 104706382
1-[6-(2-bromo-4-methoxyphenoxy)-3-pyridinyl]ethanone
CID 113443679

Frequently Asked Questions

What is the IUPAC name of [6-(2-bromo-4-methoxyphenoxy)pyridazin-3-yl]methanamine?
The IUPAC name of [6-(2-bromo-4-methoxyphenoxy)pyridazin-3-yl]methanamine (CID 104708330) is [6-(2-bromo-4-methoxyphenoxy)pyridazin-3-yl]methanamine.
What is the SMILES notation for [6-(2-bromo-4-methoxyphenoxy)pyridazin-3-yl]methanamine?
The canonical SMILES for [6-(2-bromo-4-methoxyphenoxy)pyridazin-3-yl]methanamine is COc1ccc(Oc2ccc(CN)nn2)c(Br)c1.
What is the InChIKey of [6-(2-bromo-4-methoxyphenoxy)pyridazin-3-yl]methanamine?
The InChIKey is MXZHAKBDSRWUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-17-9-3-4-11(10(13)6-9)18-12-5-2-8(7-14)15-16-12/h2-6H,7,14H2,1H3.
What are the key properties of [6-(2-bromo-4-methoxyphenoxy)pyridazin-3-yl]methanamine?
[6-(2-bromo-4-methoxyphenoxy)pyridazin-3-yl]methanamine has a molecular weight of 310.15 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-bromo-4-methoxyphenoxy)pyridazin-3-yl]methanamine is sourced from PubChem (CID 104708330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).