6-bromo-6-fluoro-1H-pyridin-3-amine

C5H6BrFN2 — CID 151163377

IUPAC6-bromo-6-fluoro-1H-pyridin-3-amine
SMILESNC1=CNC(F)(Br)C=C1
InChIInChI=1S/C5H6BrFN2/c6-5(7)2-1-4(8)3-9-5/h1-3,9H,8H2
InChIKeyNASUVZFZKKCWLF-UHFFFAOYSA-N
MW193.02 g/mol
LogP0.96
Rot. Bonds

About 6-bromo-6-fluoro-1H-pyridin-3-amine

6-bromo-6-fluoro-1H-pyridin-3-amine (PubChem CID 151163377) has the molecular formula C5H6BrFN2 and a molecular weight of 193.02 g/mol. Its IUPAC name is 6-bromo-6-fluoro-1H-pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-6-fluoro-1H-pyridin-3-amine
PubChem CID151163377
Molecular FormulaC5H6BrFN2
Molecular Weight193.02 g/mol
Exact Mass191.97
IUPAC Name6-bromo-6-fluoro-1H-pyridin-3-amine
SMILESNC1=CNC(F)(Br)C=C1
InChIInChI=1S/C5H6BrFN2/c6-5(7)2-1-4(8)3-9-5/h1-3,9H,8H2
InChIKeyNASUVZFZKKCWLF-UHFFFAOYSA-N
XLogP0.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.02
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-6-fluoro-1H-pyridin-3-amine?
The IUPAC name of 6-bromo-6-fluoro-1H-pyridin-3-amine (CID 151163377) is 6-bromo-6-fluoro-1H-pyridin-3-amine.
What is the SMILES notation for 6-bromo-6-fluoro-1H-pyridin-3-amine?
The canonical SMILES for 6-bromo-6-fluoro-1H-pyridin-3-amine is NC1=CNC(F)(Br)C=C1.
What is the InChIKey of 6-bromo-6-fluoro-1H-pyridin-3-amine?
The InChIKey is NASUVZFZKKCWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrFN2/c6-5(7)2-1-4(8)3-9-5/h1-3,9H,8H2.
What are the key properties of 6-bromo-6-fluoro-1H-pyridin-3-amine?
6-bromo-6-fluoro-1H-pyridin-3-amine has a molecular weight of 193.02 g/mol, XLogP of 0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-6-fluoro-1H-pyridin-3-amine is sourced from PubChem (CID 151163377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).