5-bromo-2-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine

C12H11BrFN3 — CID 61227503

IUPAC5-bromo-2-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine
SMILESCc1ccc(F)c(Nc2ncc(Br)cc2N)c1
InChIInChI=1S/C12H11BrFN3/c1-7-2-3-9(14)11(4-7)17-12-10(15)5-8(13)6-16-12/h2-6H,15H2,1H3,(H,16,17)
InChIKeyIJPUFQYPOYZPMG-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.62
Rot. Bonds2

About 5-bromo-2-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine

5-bromo-2-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine (PubChem CID 61227503) has the molecular formula C12H11BrFN3 and a molecular weight of 296.14 g/mol. Its IUPAC name is 5-bromo-2-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine
PubChem CID61227503
Molecular FormulaC12H11BrFN3
Molecular Weight296.14 g/mol
Exact Mass295.01
IUPAC Name5-bromo-2-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine
SMILESCc1ccc(F)c(Nc2ncc(Br)cc2N)c1
InChIInChI=1S/C12H11BrFN3/c1-7-2-3-9(14)11(4-7)17-12-10(15)5-8(13)6-16-12/h2-6H,15H2,1H3,(H,16,17)
InChIKeyIJPUFQYPOYZPMG-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 5-bromo-2-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine (CID 61227503) is 5-bromo-2-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine is Cc1ccc(F)c(Nc2ncc(Br)cc2N)c1.
What is the InChIKey of 5-bromo-2-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine?
The InChIKey is IJPUFQYPOYZPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3/c1-7-2-3-9(14)11(4-7)17-12-10(15)5-8(13)6-16-12/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of 5-bromo-2-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine?
5-bromo-2-N-(2-fluoro-5-methylphenyl)pyridine-2,3-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 5-bromo-2-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine is sourced from PubChem (CID 61227503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).