3-N-(5-bromo-2,4-difluorophenyl)pyridine-2,3-diamine

C11H8BrF2N3 — CID 102852542

IUPAC3-N-(5-bromo-2,4-difluorophenyl)pyridine-2,3-diamine
SMILESNc1ncccc1Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C11H8BrF2N3/c12-6-4-10(8(14)5-7(6)13)17-9-2-1-3-16-11(9)15/h1-5,17H,(H2,15,16)
InChIKeyKDCAEYPAHIKBNT-UHFFFAOYSA-N
MW300.11 g/mol
LogP3.45
Rot. Bonds2

About 3-N-(5-bromo-2,4-difluorophenyl)pyridine-2,3-diamine

3-N-(5-bromo-2,4-difluorophenyl)pyridine-2,3-diamine (PubChem CID 102852542) has the molecular formula C11H8BrF2N3 and a molecular weight of 300.11 g/mol. Its IUPAC name is 3-N-(5-bromo-2,4-difluorophenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(5-bromo-2,4-difluorophenyl)pyridine-2,3-diamine
PubChem CID102852542
Molecular FormulaC11H8BrF2N3
Molecular Weight300.11 g/mol
Exact Mass298.99
IUPAC Name3-N-(5-bromo-2,4-difluorophenyl)pyridine-2,3-diamine
SMILESNc1ncccc1Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C11H8BrF2N3/c12-6-4-10(8(14)5-7(6)13)17-9-2-1-3-16-11(9)15/h1-5,17H,(H2,15,16)
InChIKeyKDCAEYPAHIKBNT-UHFFFAOYSA-N
XLogP3.45
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-2,3-diamine
CID 107591065
3-N-(2-bromo-5-fluorophenyl)pyridine-2,3-diamine
CID 107634583
3-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine
CID 104539866
3-bromo-N-(5-bromo-2,4-difluorophenyl)pyridin-4-amine
CID 102854834
2-N-(2,4,5-trifluorophenyl)pyridine-2,3-diamine
CID 55129899
2-amino-N-(5-bromo-2,4-difluorophenyl)-3-fluoropyridine-4-carboxamide
CID 102854918
3-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine
CID 113424874
methyl 2-amino-3-(5-bromo-2,4-difluoroanilino)benzoate
CID 102854793
1-N-(5-bromo-2,4-difluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 102852474
1-N-(5-bromo-2,4-difluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590831
2-fluoro-1-N-quinolin-8-ylbenzene-1,4-diamine
CID 43148647
N-(5-bromo-2,4-difluorophenyl)-6-hydrazinylpyrazin-2-amine
CID 102855667

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-bromo-2,4-difluorophenyl)pyridine-2,3-diamine?
The IUPAC name of 3-N-(5-bromo-2,4-difluorophenyl)pyridine-2,3-diamine (CID 102852542) is 3-N-(5-bromo-2,4-difluorophenyl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(5-bromo-2,4-difluorophenyl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-(5-bromo-2,4-difluorophenyl)pyridine-2,3-diamine is Nc1ncccc1Nc1cc(Br)c(F)cc1F.
What is the InChIKey of 3-N-(5-bromo-2,4-difluorophenyl)pyridine-2,3-diamine?
The InChIKey is KDCAEYPAHIKBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2N3/c12-6-4-10(8(14)5-7(6)13)17-9-2-1-3-16-11(9)15/h1-5,17H,(H2,15,16).
What are the key properties of 3-N-(5-bromo-2,4-difluorophenyl)pyridine-2,3-diamine?
3-N-(5-bromo-2,4-difluorophenyl)pyridine-2,3-diamine has a molecular weight of 300.11 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-bromo-2,4-difluorophenyl)pyridine-2,3-diamine is sourced from PubChem (CID 102852542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).