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

C12H10BrFN2O — CID 83232159

IUPAC[4-(3-bromo-4-fluorophenoxy)-2-pyridinyl]methanamine
SMILESNCc1cc(Oc2ccc(F)c(Br)c2)ccn1
InChIInChI=1S/C12H10BrFN2O/c13-11-6-9(1-2-12(11)14)17-10-3-4-16-8(5-10)7-15/h1-6H,7,15H2
InChIKeyHTJCJBGGYFUCMO-UHFFFAOYSA-N
MW297.13 g/mol
LogP3.23
Rot. Bonds3

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

[4-(3-bromo-4-fluorophenoxy)-2-pyridinyl]methanamine (PubChem CID 83232159) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is [4-(3-bromo-4-fluorophenoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(3-bromo-4-fluorophenoxy)-2-pyridinyl]methanamine
PubChem CID83232159
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name[4-(3-bromo-4-fluorophenoxy)-2-pyridinyl]methanamine
SMILESNCc1cc(Oc2ccc(F)c(Br)c2)ccn1
InChIInChI=1S/C12H10BrFN2O/c13-11-6-9(1-2-12(11)14)17-10-3-4-16-8(5-10)7-15/h1-6H,7,15H2
InChIKeyHTJCJBGGYFUCMO-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 [4-(3-bromo-4-fluorophenoxy)-2-pyridinyl]methanamine?
The IUPAC name of [4-(3-bromo-4-fluorophenoxy)-2-pyridinyl]methanamine (CID 83232159) is [4-(3-bromo-4-fluorophenoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(3-bromo-4-fluorophenoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(3-bromo-4-fluorophenoxy)-2-pyridinyl]methanamine is NCc1cc(Oc2ccc(F)c(Br)c2)ccn1.
What is the InChIKey of [4-(3-bromo-4-fluorophenoxy)-2-pyridinyl]methanamine?
The InChIKey is HTJCJBGGYFUCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c13-11-6-9(1-2-12(11)14)17-10-3-4-16-8(5-10)7-15/h1-6H,7,15H2.
What are the key properties of [4-(3-bromo-4-fluorophenoxy)-2-pyridinyl]methanamine?
[4-(3-bromo-4-fluorophenoxy)-2-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 [4-(3-bromo-4-fluorophenoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 83232159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).