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

C12H10BrFN2O — CID 62298344

IUPAC[5-bromo-2-(2-fluorophenoxy)-3-pyridinyl]methanamine
SMILESNCc1cc(Br)cnc1Oc1ccccc1F
InChIInChI=1S/C12H10BrFN2O/c13-9-5-8(6-15)12(16-7-9)17-11-4-2-1-3-10(11)14/h1-5,7H,6,15H2
InChIKeyBDRQQDQZUVKLNL-UHFFFAOYSA-N
MW297.13 g/mol
LogP3.23
Rot. Bonds3

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

[5-bromo-2-(2-fluorophenoxy)-3-pyridinyl]methanamine (PubChem CID 62298344) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is [5-bromo-2-(2-fluorophenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(2-fluorophenoxy)-3-pyridinyl]methanamine
PubChem CID62298344
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name[5-bromo-2-(2-fluorophenoxy)-3-pyridinyl]methanamine
SMILESNCc1cc(Br)cnc1Oc1ccccc1F
InChIInChI=1S/C12H10BrFN2O/c13-9-5-8(6-15)12(16-7-9)17-11-4-2-1-3-10(11)14/h1-5,7H,6,15H2
InChIKeyBDRQQDQZUVKLNL-UHFFFAOYSA-N
XLogP3.23
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(2-fluorophenoxy)-3-pyridinyl]methanamine?
The IUPAC name of [5-bromo-2-(2-fluorophenoxy)-3-pyridinyl]methanamine (CID 62298344) is [5-bromo-2-(2-fluorophenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-bromo-2-(2-fluorophenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [5-bromo-2-(2-fluorophenoxy)-3-pyridinyl]methanamine is NCc1cc(Br)cnc1Oc1ccccc1F.
What is the InChIKey of [5-bromo-2-(2-fluorophenoxy)-3-pyridinyl]methanamine?
The InChIKey is BDRQQDQZUVKLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c13-9-5-8(6-15)12(16-7-9)17-11-4-2-1-3-10(11)14/h1-5,7H,6,15H2.
What are the key properties of [5-bromo-2-(2-fluorophenoxy)-3-pyridinyl]methanamine?
[5-bromo-2-(2-fluorophenoxy)-3-pyridinyl]methanamine has a molecular weight of 297.13 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(2-fluorophenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 62298344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).