5-bromo-3-[1-(6-fluoro-3-pyridinyl)ethenyl]pyridin-2-amine

C12H9BrFN3 — CID 143178773

IUPAC5-bromo-3-[1-(6-fluoro-3-pyridinyl)ethenyl]pyridin-2-amine
SMILESC=C(c1ccc(F)nc1)c1cc(Br)cnc1N
InChIInChI=1S/C12H9BrFN3/c1-7(8-2-3-11(14)16-5-8)10-4-9(13)6-17-12(10)15/h2-6H,1H2,(H2,15,17)
InChIKeyBYEPSFVVVKTMGB-UHFFFAOYSA-N
MW294.13 g/mol
LogP3.02
Rot. Bonds2

About 5-bromo-3-[1-(6-fluoro-3-pyridinyl)ethenyl]pyridin-2-amine

5-bromo-3-[1-(6-fluoro-3-pyridinyl)ethenyl]pyridin-2-amine (PubChem CID 143178773) has the molecular formula C12H9BrFN3 and a molecular weight of 294.13 g/mol. Its IUPAC name is 5-bromo-3-[1-(6-fluoro-3-pyridinyl)ethenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[1-(6-fluoro-3-pyridinyl)ethenyl]pyridin-2-amine
PubChem CID143178773
Molecular FormulaC12H9BrFN3
Molecular Weight294.13 g/mol
Exact Mass293.00
IUPAC Name5-bromo-3-[1-(6-fluoro-3-pyridinyl)ethenyl]pyridin-2-amine
SMILESC=C(c1ccc(F)nc1)c1cc(Br)cnc1N
InChIInChI=1S/C12H9BrFN3/c1-7(8-2-3-11(14)16-5-8)10-4-9(13)6-17-12(10)15/h2-6H,1H2,(H2,15,17)
InChIKeyBYEPSFVVVKTMGB-UHFFFAOYSA-N
XLogP3.02
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.13
LogP ≤ 53.02
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 5-bromo-3-[1-(6-fluoro-3-pyridinyl)ethenyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-[1-(6-fluoro-3-pyridinyl)ethenyl]pyridin-2-amine (CID 143178773) is 5-bromo-3-[1-(6-fluoro-3-pyridinyl)ethenyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[1-(6-fluoro-3-pyridinyl)ethenyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-[1-(6-fluoro-3-pyridinyl)ethenyl]pyridin-2-amine is C=C(c1ccc(F)nc1)c1cc(Br)cnc1N.
What is the InChIKey of 5-bromo-3-[1-(6-fluoro-3-pyridinyl)ethenyl]pyridin-2-amine?
The InChIKey is BYEPSFVVVKTMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3/c1-7(8-2-3-11(14)16-5-8)10-4-9(13)6-17-12(10)15/h2-6H,1H2,(H2,15,17).
What are the key properties of 5-bromo-3-[1-(6-fluoro-3-pyridinyl)ethenyl]pyridin-2-amine?
5-bromo-3-[1-(6-fluoro-3-pyridinyl)ethenyl]pyridin-2-amine has a molecular weight of 294.13 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[1-(6-fluoro-3-pyridinyl)ethenyl]pyridin-2-amine is sourced from PubChem (CID 143178773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).