[2-[(5-bromo-3-pyridinyl)oxy]-6-fluorophenyl]methanamine

C12H10BrFN2O — CID 79516558

IUPAC[2-[(5-bromo-3-pyridinyl)oxy]-6-fluorophenyl]methanamine
SMILESNCc1c(F)cccc1Oc1cncc(Br)c1
InChIInChI=1S/C12H10BrFN2O/c13-8-4-9(7-16-6-8)17-12-3-1-2-11(14)10(12)5-15/h1-4,6-7H,5,15H2
InChIKeyLSFKVZHBEZXPKP-UHFFFAOYSA-N
MW297.13 g/mol
LogP3.23
Rot. Bonds3

About [2-[(5-bromo-3-pyridinyl)oxy]-6-fluorophenyl]methanamine

[2-[(5-bromo-3-pyridinyl)oxy]-6-fluorophenyl]methanamine (PubChem CID 79516558) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is [2-[(5-bromo-3-pyridinyl)oxy]-6-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(5-bromo-3-pyridinyl)oxy]-6-fluorophenyl]methanamine
PubChem CID79516558
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name[2-[(5-bromo-3-pyridinyl)oxy]-6-fluorophenyl]methanamine
SMILESNCc1c(F)cccc1Oc1cncc(Br)c1
InChIInChI=1S/C12H10BrFN2O/c13-8-4-9(7-16-6-8)17-12-3-1-2-11(14)10(12)5-15/h1-4,6-7H,5,15H2
InChIKeyLSFKVZHBEZXPKP-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 [2-[(5-bromo-3-pyridinyl)oxy]-6-fluorophenyl]methanamine?
The IUPAC name of [2-[(5-bromo-3-pyridinyl)oxy]-6-fluorophenyl]methanamine (CID 79516558) is [2-[(5-bromo-3-pyridinyl)oxy]-6-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(5-bromo-3-pyridinyl)oxy]-6-fluorophenyl]methanamine?
The canonical SMILES for [2-[(5-bromo-3-pyridinyl)oxy]-6-fluorophenyl]methanamine is NCc1c(F)cccc1Oc1cncc(Br)c1.
What is the InChIKey of [2-[(5-bromo-3-pyridinyl)oxy]-6-fluorophenyl]methanamine?
The InChIKey is LSFKVZHBEZXPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c13-8-4-9(7-16-6-8)17-12-3-1-2-11(14)10(12)5-15/h1-4,6-7H,5,15H2.
What are the key properties of [2-[(5-bromo-3-pyridinyl)oxy]-6-fluorophenyl]methanamine?
[2-[(5-bromo-3-pyridinyl)oxy]-6-fluorophenyl]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 [2-[(5-bromo-3-pyridinyl)oxy]-6-fluorophenyl]methanamine is sourced from PubChem (CID 79516558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).