5-bromo-6-fluoropyridine-2,3-diamine

C5H5BrFN3 — CID 164532332

IUPAC5-bromo-6-fluoropyridine-2,3-diamine
SMILESNc1cc(Br)c(F)nc1N
InChIInChI=1S/C5H5BrFN3/c6-2-1-3(8)5(9)10-4(2)7/h1H,8H2,(H2,9,10)
InChIKeyLROALXZNOGVRDE-UHFFFAOYSA-N
MW206.02 g/mol
LogP1.15
Rot. Bonds

About 5-bromo-6-fluoropyridine-2,3-diamine

5-bromo-6-fluoropyridine-2,3-diamine (PubChem CID 164532332) has the molecular formula C5H5BrFN3 and a molecular weight of 206.02 g/mol. Its IUPAC name is 5-bromo-6-fluoropyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-6-fluoropyridine-2,3-diamine
PubChem CID164532332
Molecular FormulaC5H5BrFN3
Molecular Weight206.02 g/mol
Exact Mass204.97
IUPAC Name5-bromo-6-fluoropyridine-2,3-diamine
SMILESNc1cc(Br)c(F)nc1N
InChIInChI=1S/C5H5BrFN3/c6-2-1-3(8)5(9)10-4(2)7/h1H,8H2,(H2,9,10)
InChIKeyLROALXZNOGVRDE-UHFFFAOYSA-N
XLogP1.15
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.02
LogP ≤ 51.15
H-Bond Donors ≤ 52
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-6-fluoropyridine-2,3-diamine?
The IUPAC name of 5-bromo-6-fluoropyridine-2,3-diamine (CID 164532332) is 5-bromo-6-fluoropyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-6-fluoropyridine-2,3-diamine?
The canonical SMILES for 5-bromo-6-fluoropyridine-2,3-diamine is Nc1cc(Br)c(F)nc1N.
What is the InChIKey of 5-bromo-6-fluoropyridine-2,3-diamine?
The InChIKey is LROALXZNOGVRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrFN3/c6-2-1-3(8)5(9)10-4(2)7/h1H,8H2,(H2,9,10).
What are the key properties of 5-bromo-6-fluoropyridine-2,3-diamine?
5-bromo-6-fluoropyridine-2,3-diamine has a molecular weight of 206.02 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoropyridine-2,3-diamine is sourced from PubChem (CID 164532332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).