2-N-(2-bromo-4-fluorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine

C15H17BrFN3O — CID 43261741

IUPAC2-N-(2-bromo-4-fluorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
SMILESCC(C)COc1nc(Nc2ccc(F)cc2Br)ccc1N
InChIInChI=1S/C15H17BrFN3O/c1-9(2)8-21-15-12(18)4-6-14(20-15)19-13-5-3-10(17)7-11(13)16/h3-7,9H,8,18H2,1-2H3,(H,19,20)
InChIKeyULWZLSIVALLYQA-UHFFFAOYSA-N
MW354.22 g/mol
LogP4.34
Rot. Bonds5

About 2-N-(2-bromo-4-fluorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine

2-N-(2-bromo-4-fluorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine (PubChem CID 43261741) has the molecular formula C15H17BrFN3O and a molecular weight of 354.22 g/mol. Its IUPAC name is 2-N-(2-bromo-4-fluorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-bromo-4-fluorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
PubChem CID43261741
Molecular FormulaC15H17BrFN3O
Molecular Weight354.22 g/mol
Exact Mass353.05
IUPAC Name2-N-(2-bromo-4-fluorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
SMILESCC(C)COc1nc(Nc2ccc(F)cc2Br)ccc1N
InChIInChI=1S/C15H17BrFN3O/c1-9(2)8-21-15-12(18)4-6-14(20-15)19-13-5-3-10(17)7-11(13)16/h3-7,9H,8,18H2,1-2H3,(H,19,20)
InChIKeyULWZLSIVALLYQA-UHFFFAOYSA-N
XLogP4.34
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromo-4-fluorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine?
The IUPAC name of 2-N-(2-bromo-4-fluorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine (CID 43261741) is 2-N-(2-bromo-4-fluorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2-bromo-4-fluorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine?
The canonical SMILES for 2-N-(2-bromo-4-fluorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine is CC(C)COc1nc(Nc2ccc(F)cc2Br)ccc1N.
What is the InChIKey of 2-N-(2-bromo-4-fluorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine?
The InChIKey is ULWZLSIVALLYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3O/c1-9(2)8-21-15-12(18)4-6-14(20-15)19-13-5-3-10(17)7-11(13)16/h3-7,9H,8,18H2,1-2H3,(H,19,20).
What are the key properties of 2-N-(2-bromo-4-fluorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine?
2-N-(2-bromo-4-fluorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine has a molecular weight of 354.22 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromo-4-fluorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine is sourced from PubChem (CID 43261741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).