[5-bromo-2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methanamine

C12H9Br2FN2O — CID 62322750

IUPAC[5-bromo-2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methanamine
SMILESNCc1cc(Br)cnc1Oc1ccc(Br)cc1F
InChIInChI=1S/C12H9Br2FN2O/c13-8-1-2-11(10(15)4-8)18-12-7(5-16)3-9(14)6-17-12/h1-4,6H,5,16H2
InChIKeyUTZBKRFWPSHELR-UHFFFAOYSA-N
MW376.02 g/mol
LogP4.00
Rot. Bonds3

About [5-bromo-2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methanamine

[5-bromo-2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methanamine (PubChem CID 62322750) has the molecular formula C12H9Br2FN2O and a molecular weight of 376.02 g/mol. Its IUPAC name is [5-bromo-2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methanamine
PubChem CID62322750
Molecular FormulaC12H9Br2FN2O
Molecular Weight376.02 g/mol
Exact Mass373.91
IUPAC Name[5-bromo-2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methanamine
SMILESNCc1cc(Br)cnc1Oc1ccc(Br)cc1F
InChIInChI=1S/C12H9Br2FN2O/c13-8-1-2-11(10(15)4-8)18-12-7(5-16)3-9(14)6-17-12/h1-4,6H,5,16H2
InChIKeyUTZBKRFWPSHELR-UHFFFAOYSA-N
XLogP4.00
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.02
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-2-(2-fluorophenoxy)-3-pyridinyl]methanamine
CID 62298344
[5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64721342
[5-bromo-2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine
CID 64854885
[5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 83146354
[4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine
CID 43365001
[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine
CID 55058835
2-(4-bromo-2-fluorophenoxy)-5-chloro-3-fluoropyridine
CID 79727302
[5-bromo-2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine
CID 63937782
[2-(4-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 61175759
[6-(4-bromo-2-fluorophenoxy)-5-chloro-3-pyridinyl]methanol
CID 61257547
[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine
CID 43531303
5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 114046913

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methanamine?
The IUPAC name of [5-bromo-2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methanamine (CID 62322750) is [5-bromo-2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-bromo-2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [5-bromo-2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methanamine is NCc1cc(Br)cnc1Oc1ccc(Br)cc1F.
What is the InChIKey of [5-bromo-2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methanamine?
The InChIKey is UTZBKRFWPSHELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2FN2O/c13-8-1-2-11(10(15)4-8)18-12-7(5-16)3-9(14)6-17-12/h1-4,6H,5,16H2.
What are the key properties of [5-bromo-2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methanamine?
[5-bromo-2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methanamine has a molecular weight of 376.02 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 62322750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).