6-bromo-3-fluoro-N-methylpyridin-2-amine

C6H6BrFN2 — CID 122605027

IUPAC6-bromo-3-fluoro-N-methylpyridin-2-amine
SMILESCNc1nc(Br)ccc1F
InChIInChI=1S/C6H6BrFN2/c1-9-6-4(8)2-3-5(7)10-6/h2-3H,1H3,(H,9,10)
InChIKeyIFMIWWNEIJZKBE-UHFFFAOYSA-N
MW205.03 g/mol
LogP2.02
Rot. Bonds1

About 6-bromo-3-fluoro-N-methylpyridin-2-amine

6-bromo-3-fluoro-N-methylpyridin-2-amine (PubChem CID 122605027) has the molecular formula C6H6BrFN2 and a molecular weight of 205.03 g/mol. Its IUPAC name is 6-bromo-3-fluoro-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-fluoro-N-methylpyridin-2-amine
PubChem CID122605027
Molecular FormulaC6H6BrFN2
Molecular Weight205.03 g/mol
Exact Mass203.97
IUPAC Name6-bromo-3-fluoro-N-methylpyridin-2-amine
SMILESCNc1nc(Br)ccc1F
InChIInChI=1S/C6H6BrFN2/c1-9-6-4(8)2-3-5(7)10-6/h2-3H,1H3,(H,9,10)
InChIKeyIFMIWWNEIJZKBE-UHFFFAOYSA-N
XLogP2.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.03
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-3-fluoro-N-methylpyridin-2-amine?
The IUPAC name of 6-bromo-3-fluoro-N-methylpyridin-2-amine (CID 122605027) is 6-bromo-3-fluoro-N-methylpyridin-2-amine.
What is the SMILES notation for 6-bromo-3-fluoro-N-methylpyridin-2-amine?
The canonical SMILES for 6-bromo-3-fluoro-N-methylpyridin-2-amine is CNc1nc(Br)ccc1F.
What is the InChIKey of 6-bromo-3-fluoro-N-methylpyridin-2-amine?
The InChIKey is IFMIWWNEIJZKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrFN2/c1-9-6-4(8)2-3-5(7)10-6/h2-3H,1H3,(H,9,10).
What are the key properties of 6-bromo-3-fluoro-N-methylpyridin-2-amine?
6-bromo-3-fluoro-N-methylpyridin-2-amine has a molecular weight of 205.03 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-fluoro-N-methylpyridin-2-amine is sourced from PubChem (CID 122605027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).