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

C12H9BrClFN2O — CID 83146354

IUPAC[5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine
SMILESNCc1cc(Br)ccc1Oc1ncc(Cl)cc1F
InChIInChI=1S/C12H9BrClFN2O/c13-8-1-2-11(7(3-8)5-16)18-12-10(15)4-9(14)6-17-12/h1-4,6H,5,16H2
InChIKeyLKUHCLGZUZAYGX-UHFFFAOYSA-N
MW331.57 g/mol
LogP3.89
Rot. Bonds3

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

[5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine (PubChem CID 83146354) has the molecular formula C12H9BrClFN2O and a molecular weight of 331.57 g/mol. Its IUPAC name is [5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine
PubChem CID83146354
Molecular FormulaC12H9BrClFN2O
Molecular Weight331.57 g/mol
Exact Mass329.96
IUPAC Name[5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine
SMILESNCc1cc(Br)ccc1Oc1ncc(Cl)cc1F
InChIInChI=1S/C12H9BrClFN2O/c13-8-1-2-11(7(3-8)5-16)18-12-10(15)4-9(14)6-17-12/h1-4,6H,5,16H2
InChIKeyLKUHCLGZUZAYGX-UHFFFAOYSA-N
XLogP3.89
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.57
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-5-chloro-3-fluoropyridine
CID 79727302
5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline
CID 79727544
[5-bromo-2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methanamine
CID 62322750
[5-bromo-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine
CID 83145645
[3-chloro-4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 79734258
[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-chlorophenyl]methanamine
CID 114838134
[4-chloro-2-[(3,5-difluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 112676396
[5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64721342
[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 103037777
[5-bromo-2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine
CID 64854885
[4-chloro-2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanamine
CID 114323920
[5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine
CID 114889959

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine?
The IUPAC name of [5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine (CID 83146354) is [5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine.
What is the SMILES notation for [5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine?
The canonical SMILES for [5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine is NCc1cc(Br)ccc1Oc1ncc(Cl)cc1F.
What is the InChIKey of [5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine?
The InChIKey is LKUHCLGZUZAYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2O/c13-8-1-2-11(7(3-8)5-16)18-12-10(15)4-9(14)6-17-12/h1-4,6H,5,16H2.
What are the key properties of [5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine?
[5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine has a molecular weight of 331.57 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine is sourced from PubChem (CID 83146354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).