6-bromo-3-(difluoromethyl)pyridine-2,5-diamine

C6H6BrF2N3 — CID 119017284

IUPAC6-bromo-3-(difluoromethyl)pyridine-2,5-diamine
SMILESNc1cc(C(F)F)c(N)nc1Br
InChIInChI=1S/C6H6BrF2N3/c7-4-3(10)1-2(5(8)9)6(11)12-4/h1,5H,10H2,(H2,11,12)
InChIKeyZDHUWSLIYJYADL-UHFFFAOYSA-N
MW238.03 g/mol
LogP1.95
Rot. Bonds1

About 6-bromo-3-(difluoromethyl)pyridine-2,5-diamine

6-bromo-3-(difluoromethyl)pyridine-2,5-diamine (PubChem CID 119017284) has the molecular formula C6H6BrF2N3 and a molecular weight of 238.03 g/mol. Its IUPAC name is 6-bromo-3-(difluoromethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-bromo-3-(difluoromethyl)pyridine-2,5-diamine
PubChem CID119017284
Molecular FormulaC6H6BrF2N3
Molecular Weight238.03 g/mol
Exact Mass236.97
IUPAC Name6-bromo-3-(difluoromethyl)pyridine-2,5-diamine
SMILESNc1cc(C(F)F)c(N)nc1Br
InChIInChI=1S/C6H6BrF2N3/c7-4-3(10)1-2(5(8)9)6(11)12-4/h1,5H,10H2,(H2,11,12)
InChIKeyZDHUWSLIYJYADL-UHFFFAOYSA-N
XLogP1.95
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.03
LogP ≤ 51.95
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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Related Compounds

6-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 119009809
5-bromo-3-(difluoromethyl)-6-methylpyridin-2-amine
CID 130101784
5-bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 118999839
5-amino-6-bromo-2-(difluoromethyl)pyridin-3-ol
CID 130101693
6-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 119008053
5-(difluoromethyl)-6-methylpyridine-2,3-diamine
CID 119002559
6-bromo-4-(difluoromethyl)pyridine-2,3-diamine
CID 130098542
5-(difluoromethyl)-6-iodopyridine-2,3-diamine
CID 118990847
5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine
CID 119014971
3-bromo-5-(difluoromethyl)-6-fluoropyridin-2-amine
CID 118999087
[2,6-diamino-5-(difluoromethyl)-3-pyridinyl]methanol
CID 119025183
5-amino-6-bromo-2-(difluoromethyl)pyridine-3-sulfonamide
CID 130102347

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(difluoromethyl)pyridine-2,5-diamine?
The IUPAC name of 6-bromo-3-(difluoromethyl)pyridine-2,5-diamine (CID 119017284) is 6-bromo-3-(difluoromethyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-bromo-3-(difluoromethyl)pyridine-2,5-diamine?
The canonical SMILES for 6-bromo-3-(difluoromethyl)pyridine-2,5-diamine is Nc1cc(C(F)F)c(N)nc1Br.
What is the InChIKey of 6-bromo-3-(difluoromethyl)pyridine-2,5-diamine?
The InChIKey is ZDHUWSLIYJYADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF2N3/c7-4-3(10)1-2(5(8)9)6(11)12-4/h1,5H,10H2,(H2,11,12).
What are the key properties of 6-bromo-3-(difluoromethyl)pyridine-2,5-diamine?
6-bromo-3-(difluoromethyl)pyridine-2,5-diamine has a molecular weight of 238.03 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(difluoromethyl)pyridine-2,5-diamine is sourced from PubChem (CID 119017284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).