[5-bromo-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine

C12H10BrClN2O — CID 83145645

IUPAC[5-bromo-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine
SMILESNCc1cc(Br)ccc1Oc1ncccc1Cl
InChIInChI=1S/C12H10BrClN2O/c13-9-3-4-11(8(6-9)7-15)17-12-10(14)2-1-5-16-12/h1-6H,7,15H2
InChIKeyWAMBVGOXBORCEB-UHFFFAOYSA-N
MW313.58 g/mol
LogP3.75
Rot. Bonds3

About [5-bromo-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine

[5-bromo-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine (PubChem CID 83145645) has the molecular formula C12H10BrClN2O and a molecular weight of 313.58 g/mol. Its IUPAC name is [5-bromo-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine
PubChem CID83145645
Molecular FormulaC12H10BrClN2O
Molecular Weight313.58 g/mol
Exact Mass311.97
IUPAC Name[5-bromo-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine
SMILESNCc1cc(Br)ccc1Oc1ncccc1Cl
InChIInChI=1S/C12H10BrClN2O/c13-9-3-4-11(8(6-9)7-15)17-12-10(14)2-1-5-16-12/h1-6H,7,15H2
InChIKeyWAMBVGOXBORCEB-UHFFFAOYSA-N
XLogP3.75
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(3-chloro-2-pyridinyl)oxy]aniline
CID 65429796
[2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64719510
[4-chloro-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine
CID 114323941
[5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 83146354
[5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine
CID 114889959
[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methanamine
CID 43528666
[5-bromo-2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]methanamine
CID 106999555
[5-bromo-2-(4-bromo-2-methylphenoxy)phenyl]methanamine
CID 114889929
[5-bromo-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyphenyl]methanamine
CID 104733340
[2-(5-bromo-2-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926522
(1R)-1-[2-(4-bromo-2-chlorophenoxy)-3-pyridinyl]ethanol
CID 114056463
[5-bromo-2-(3-bromophenoxy)phenyl]methanamine
CID 114889905

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine?
The IUPAC name of [5-bromo-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine (CID 83145645) is [5-bromo-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine.
What is the SMILES notation for [5-bromo-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine?
The canonical SMILES for [5-bromo-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine is NCc1cc(Br)ccc1Oc1ncccc1Cl.
What is the InChIKey of [5-bromo-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine?
The InChIKey is WAMBVGOXBORCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O/c13-9-3-4-11(8(6-9)7-15)17-12-10(14)2-1-5-16-12/h1-6H,7,15H2.
What are the key properties of [5-bromo-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine?
[5-bromo-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine has a molecular weight of 313.58 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine is sourced from PubChem (CID 83145645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).