4-(5-bromo-2-fluoro-3-pyridinyl)pyridin-3-amine

C10H7BrFN3 — CID 58266394

IUPAC4-(5-bromo-2-fluoro-3-pyridinyl)pyridin-3-amine
SMILESNc1cnccc1-c1cc(Br)cnc1F
InChIInChI=1S/C10H7BrFN3/c11-6-3-8(10(12)15-4-6)7-1-2-14-5-9(7)13/h1-5H,13H2
InChIKeyPUTUOZYMSXSRQM-UHFFFAOYSA-N
MW268.09 g/mol
LogP2.63
Rot. Bonds1

About 4-(5-bromo-2-fluoro-3-pyridinyl)pyridin-3-amine

4-(5-bromo-2-fluoro-3-pyridinyl)pyridin-3-amine (PubChem CID 58266394) has the molecular formula C10H7BrFN3 and a molecular weight of 268.09 g/mol. Its IUPAC name is 4-(5-bromo-2-fluoro-3-pyridinyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(5-bromo-2-fluoro-3-pyridinyl)pyridin-3-amine
PubChem CID58266394
Molecular FormulaC10H7BrFN3
Molecular Weight268.09 g/mol
Exact Mass266.98
IUPAC Name4-(5-bromo-2-fluoro-3-pyridinyl)pyridin-3-amine
SMILESNc1cnccc1-c1cc(Br)cnc1F
InChIInChI=1S/C10H7BrFN3/c11-6-3-8(10(12)15-4-6)7-1-2-14-5-9(7)13/h1-5H,13H2
InChIKeyPUTUOZYMSXSRQM-UHFFFAOYSA-N
XLogP2.63
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.09
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(5-bromo-2-fluoro-3-pyridinyl)pyridin-3-amine?
The IUPAC name of 4-(5-bromo-2-fluoro-3-pyridinyl)pyridin-3-amine (CID 58266394) is 4-(5-bromo-2-fluoro-3-pyridinyl)pyridin-3-amine.
What is the SMILES notation for 4-(5-bromo-2-fluoro-3-pyridinyl)pyridin-3-amine?
The canonical SMILES for 4-(5-bromo-2-fluoro-3-pyridinyl)pyridin-3-amine is Nc1cnccc1-c1cc(Br)cnc1F.
What is the InChIKey of 4-(5-bromo-2-fluoro-3-pyridinyl)pyridin-3-amine?
The InChIKey is PUTUOZYMSXSRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFN3/c11-6-3-8(10(12)15-4-6)7-1-2-14-5-9(7)13/h1-5H,13H2.
What are the key properties of 4-(5-bromo-2-fluoro-3-pyridinyl)pyridin-3-amine?
4-(5-bromo-2-fluoro-3-pyridinyl)pyridin-3-amine has a molecular weight of 268.09 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluoro-3-pyridinyl)pyridin-3-amine is sourced from PubChem (CID 58266394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).