[6-bromo-5-fluoro-4-[2-(fluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine

C11H9BrF2N4 — CID 122534119

IUPAC[6-bromo-5-fluoro-4-[2-(fluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine
SMILESNCc1cc(-c2cnc(CF)nc2)c(F)c(Br)n1
InChIInChI=1S/C11H9BrF2N4/c12-11-10(14)8(1-7(3-15)18-11)6-4-16-9(2-13)17-5-6/h1,4-5H,2-3,15H2
InChIKeyFFHJYMUDRXAVFG-UHFFFAOYSA-N
MW315.12 g/mol
LogP2.37
Rot. Bonds3

About [6-bromo-5-fluoro-4-[2-(fluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine

[6-bromo-5-fluoro-4-[2-(fluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine (PubChem CID 122534119) has the molecular formula C11H9BrF2N4 and a molecular weight of 315.12 g/mol. Its IUPAC name is [6-bromo-5-fluoro-4-[2-(fluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-bromo-5-fluoro-4-[2-(fluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine
PubChem CID122534119
Molecular FormulaC11H9BrF2N4
Molecular Weight315.12 g/mol
Exact Mass314.00
IUPAC Name[6-bromo-5-fluoro-4-[2-(fluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine
SMILESNCc1cc(-c2cnc(CF)nc2)c(F)c(Br)n1
InChIInChI=1S/C11H9BrF2N4/c12-11-10(14)8(1-7(3-15)18-11)6-4-16-9(2-13)17-5-6/h1,4-5H,2-3,15H2
InChIKeyFFHJYMUDRXAVFG-UHFFFAOYSA-N
XLogP2.37
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-bromo-5-fluoro-4-[2-(fluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine?
The IUPAC name of [6-bromo-5-fluoro-4-[2-(fluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine (CID 122534119) is [6-bromo-5-fluoro-4-[2-(fluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine.
What is the SMILES notation for [6-bromo-5-fluoro-4-[2-(fluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine?
The canonical SMILES for [6-bromo-5-fluoro-4-[2-(fluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine is NCc1cc(-c2cnc(CF)nc2)c(F)c(Br)n1.
What is the InChIKey of [6-bromo-5-fluoro-4-[2-(fluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine?
The InChIKey is FFHJYMUDRXAVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF2N4/c12-11-10(14)8(1-7(3-15)18-11)6-4-16-9(2-13)17-5-6/h1,4-5H,2-3,15H2.
What are the key properties of [6-bromo-5-fluoro-4-[2-(fluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine?
[6-bromo-5-fluoro-4-[2-(fluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine has a molecular weight of 315.12 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-5-fluoro-4-[2-(fluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine is sourced from PubChem (CID 122534119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).