2-N-(2-bromo-4-fluorophenyl)-4-methylpyridine-2,5-diamine

C12H11BrFN3 — CID 79173116

IUPAC2-N-(2-bromo-4-fluorophenyl)-4-methylpyridine-2,5-diamine
SMILESCc1cc(Nc2ccc(F)cc2Br)ncc1N
InChIInChI=1S/C12H11BrFN3/c1-7-4-12(16-6-10(7)15)17-11-3-2-8(14)5-9(11)13/h2-6H,15H2,1H3,(H,16,17)
InChIKeyWHOLTPUCXSXBDP-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.62
Rot. Bonds2

About 2-N-(2-bromo-4-fluorophenyl)-4-methylpyridine-2,5-diamine

2-N-(2-bromo-4-fluorophenyl)-4-methylpyridine-2,5-diamine (PubChem CID 79173116) has the molecular formula C12H11BrFN3 and a molecular weight of 296.14 g/mol. Its IUPAC name is 2-N-(2-bromo-4-fluorophenyl)-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-bromo-4-fluorophenyl)-4-methylpyridine-2,5-diamine
PubChem CID79173116
Molecular FormulaC12H11BrFN3
Molecular Weight296.14 g/mol
Exact Mass295.01
IUPAC Name2-N-(2-bromo-4-fluorophenyl)-4-methylpyridine-2,5-diamine
SMILESCc1cc(Nc2ccc(F)cc2Br)ncc1N
InChIInChI=1S/C12H11BrFN3/c1-7-4-12(16-6-10(7)15)17-11-3-2-8(14)5-9(11)13/h2-6H,15H2,1H3,(H,16,17)
InChIKeyWHOLTPUCXSXBDP-UHFFFAOYSA-N
XLogP3.62
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromo-4-fluorophenyl)-4-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(2-bromo-4-fluorophenyl)-4-methylpyridine-2,5-diamine (CID 79173116) is 2-N-(2-bromo-4-fluorophenyl)-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2-bromo-4-fluorophenyl)-4-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(2-bromo-4-fluorophenyl)-4-methylpyridine-2,5-diamine is Cc1cc(Nc2ccc(F)cc2Br)ncc1N.
What is the InChIKey of 2-N-(2-bromo-4-fluorophenyl)-4-methylpyridine-2,5-diamine?
The InChIKey is WHOLTPUCXSXBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3/c1-7-4-12(16-6-10(7)15)17-11-3-2-8(14)5-9(11)13/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of 2-N-(2-bromo-4-fluorophenyl)-4-methylpyridine-2,5-diamine?
2-N-(2-bromo-4-fluorophenyl)-4-methylpyridine-2,5-diamine has a molecular weight of 296.14 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromo-4-fluorophenyl)-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 79173116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).