[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-chlorophenyl]methanamine

C12H9BrCl2N2O — CID 114838134

IUPAC[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-chlorophenyl]methanamine
SMILESNCc1ccc(Cl)cc1Oc1ncc(Cl)cc1Br
InChIInChI=1S/C12H9BrCl2N2O/c13-10-3-9(15)6-17-12(10)18-11-4-8(14)2-1-7(11)5-16/h1-4,6H,5,16H2
InChIKeyHYPXVUIJBIWXSS-UHFFFAOYSA-N
MW348.03 g/mol
LogP4.40
Rot. Bonds3

About [2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-chlorophenyl]methanamine

[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-chlorophenyl]methanamine (PubChem CID 114838134) has the molecular formula C12H9BrCl2N2O and a molecular weight of 348.03 g/mol. Its IUPAC name is [2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-chlorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-chlorophenyl]methanamine
PubChem CID114838134
Molecular FormulaC12H9BrCl2N2O
Molecular Weight348.03 g/mol
Exact Mass345.93
IUPAC Name[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-chlorophenyl]methanamine
SMILESNCc1ccc(Cl)cc1Oc1ncc(Cl)cc1Br
InChIInChI=1S/C12H9BrCl2N2O/c13-10-3-9(15)6-17-12(10)18-11-4-8(14)2-1-7(11)5-16/h1-4,6H,5,16H2
InChIKeyHYPXVUIJBIWXSS-UHFFFAOYSA-N
XLogP4.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.03
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanamine
CID 114323920
[2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-chlorophenyl]methanamine
CID 106999554
[4-chloro-2-[(3,5-difluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 112676396
3-bromo-5-chloro-2-(4-chloro-2-methylphenoxy)pyridine
CID 114837551
[4-chloro-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine
CID 114323941
[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methanamine
CID 43528666
[5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 83146354
3-bromo-2-(2-bromo-4-chlorophenoxy)-5-methylpyridine
CID 105368214
5-bromo-2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-fluoroaniline
CID 103483716
[3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxyphenyl]methanamine
CID 103568187
2-[2-(2-bromo-4-chlorophenoxy)-4-chlorophenyl]ethanamine
CID 114863000
[4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine
CID 63082834

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-chlorophenyl]methanamine?
The IUPAC name of [2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-chlorophenyl]methanamine (CID 114838134) is [2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-chlorophenyl]methanamine.
What is the SMILES notation for [2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-chlorophenyl]methanamine?
The canonical SMILES for [2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-chlorophenyl]methanamine is NCc1ccc(Cl)cc1Oc1ncc(Cl)cc1Br.
What is the InChIKey of [2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-chlorophenyl]methanamine?
The InChIKey is HYPXVUIJBIWXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2O/c13-10-3-9(15)6-17-12(10)18-11-4-8(14)2-1-7(11)5-16/h1-4,6H,5,16H2.
What are the key properties of [2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-chlorophenyl]methanamine?
[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-chlorophenyl]methanamine has a molecular weight of 348.03 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-chlorophenyl]methanamine is sourced from PubChem (CID 114838134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).