[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methanamine

C12H10BrClN2O — CID 43528666

IUPAC[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methanamine
SMILESNCc1cccnc1Oc1ccc(Cl)cc1Br
InChIInChI=1S/C12H10BrClN2O/c13-10-6-9(14)3-4-11(10)17-12-8(7-15)2-1-5-16-12/h1-6H,7,15H2
InChIKeyDMOTZYGDPWQGCU-UHFFFAOYSA-N
MW313.58 g/mol
LogP3.75
Rot. Bonds3

About [2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methanamine

[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methanamine (PubChem CID 43528666) has the molecular formula C12H10BrClN2O and a molecular weight of 313.58 g/mol. Its IUPAC name is [2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methanamine
PubChem CID43528666
Molecular FormulaC12H10BrClN2O
Molecular Weight313.58 g/mol
Exact Mass311.97
IUPAC Name[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methanamine
SMILESNCc1cccnc1Oc1ccc(Cl)cc1Br
InChIInChI=1S/C12H10BrClN2O/c13-10-6-9(14)3-4-11(10)17-12-8(7-15)2-1-5-16-12/h1-6H,7,15H2
InChIKeyDMOTZYGDPWQGCU-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

[2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64719510
[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]methanamine
CID 43528676
N-[[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62323963
(1S)-1-[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]ethanamine
CID 114056638
[4-chloro-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine
CID 114323941
[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-chlorophenyl]methanamine
CID 114838134
[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine
CID 64854594
3-(chloromethyl)-2-(2,4-dichlorophenoxy)pyridine
CID 61268068
[5-bromo-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine
CID 83145645
2-(4-chloro-2-fluorophenoxy)-3-(chloromethyl)pyridine
CID 114267909
3-(2-bromo-4-chlorophenoxy)pyrazine-2-carbothioamide
CID 62683633
6-(2-bromo-4-chlorophenoxy)-5-chloropyridin-3-amine
CID 114046372

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methanamine?
The IUPAC name of [2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methanamine (CID 43528666) is [2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methanamine is NCc1cccnc1Oc1ccc(Cl)cc1Br.
What is the InChIKey of [2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methanamine?
The InChIKey is DMOTZYGDPWQGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O/c13-10-6-9(14)3-4-11(10)17-12-8(7-15)2-1-5-16-12/h1-6H,7,15H2.
What are the key properties of [2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methanamine?
[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]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 [2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 43528666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).