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

C12H11BrFN3 — CID 79535109

IUPAC3-bromo-2-N-(3-fluoro-5-methylphenyl)pyridine-2,5-diamine
SMILESCc1cc(F)cc(Nc2ncc(N)cc2Br)c1
InChIInChI=1S/C12H11BrFN3/c1-7-2-8(14)4-10(3-7)17-12-11(13)5-9(15)6-16-12/h2-6H,15H2,1H3,(H,16,17)
InChIKeyKWMHQKGEGUDKOZ-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.62
Rot. Bonds2

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

3-bromo-2-N-(3-fluoro-5-methylphenyl)pyridine-2,5-diamine (PubChem CID 79535109) has the molecular formula C12H11BrFN3 and a molecular weight of 296.14 g/mol. Its IUPAC name is 3-bromo-2-N-(3-fluoro-5-methylphenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(3-fluoro-5-methylphenyl)pyridine-2,5-diamine
PubChem CID79535109
Molecular FormulaC12H11BrFN3
Molecular Weight296.14 g/mol
Exact Mass295.01
IUPAC Name3-bromo-2-N-(3-fluoro-5-methylphenyl)pyridine-2,5-diamine
SMILESCc1cc(F)cc(Nc2ncc(N)cc2Br)c1
InChIInChI=1S/C12H11BrFN3/c1-7-2-8(14)4-10(3-7)17-12-11(13)5-9(15)6-16-12/h2-6H,15H2,1H3,(H,16,17)
InChIKeyKWMHQKGEGUDKOZ-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 3-bromo-2-N-(3-fluoro-5-methylphenyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(3-fluoro-5-methylphenyl)pyridine-2,5-diamine (CID 79535109) is 3-bromo-2-N-(3-fluoro-5-methylphenyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(3-fluoro-5-methylphenyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(3-fluoro-5-methylphenyl)pyridine-2,5-diamine is Cc1cc(F)cc(Nc2ncc(N)cc2Br)c1.
What is the InChIKey of 3-bromo-2-N-(3-fluoro-5-methylphenyl)pyridine-2,5-diamine?
The InChIKey is KWMHQKGEGUDKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3/c1-7-2-8(14)4-10(3-7)17-12-11(13)5-9(15)6-16-12/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of 3-bromo-2-N-(3-fluoro-5-methylphenyl)pyridine-2,5-diamine?
3-bromo-2-N-(3-fluoro-5-methylphenyl)pyridine-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 3-bromo-2-N-(3-fluoro-5-methylphenyl)pyridine-2,5-diamine is sourced from PubChem (CID 79535109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).