2-(4-bromo-2-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-ol;propane

C19H25BrFN3O — CID 143991083

IUPAC2-(4-bromo-2-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-ol;propane
SMILESCCC.CN1CCN(c2ccc(O)c(-c3ccc(Br)cc3F)n2)CC1
InChIInChI=1S/C16H17BrFN3O.C3H8/c1-20-6-8-21(9-7-20)15-5-4-14(22)16(19-15)12-3-2-11(17)10-13(12)18;1-3-2/h2-5,10,22H,6-9H2,1H3;3H2,1-2H3
InChIKeyIPTKWQNELUAFSJ-UHFFFAOYSA-N
MW410.33 g/mol
LogP4.52
Rot. Bonds2

About 2-(4-bromo-2-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-ol;propane

2-(4-bromo-2-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-ol;propane (PubChem CID 143991083) has the molecular formula C19H25BrFN3O and a molecular weight of 410.33 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-ol;propane.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-ol;propane
PubChem CID143991083
Molecular FormulaC19H25BrFN3O
Molecular Weight410.33 g/mol
Exact Mass409.12
IUPAC Name2-(4-bromo-2-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-ol;propane
SMILESCCC.CN1CCN(c2ccc(O)c(-c3ccc(Br)cc3F)n2)CC1
InChIInChI=1S/C16H17BrFN3O.C3H8/c1-20-6-8-21(9-7-20)15-5-4-14(22)16(19-15)12-3-2-11(17)10-13(12)18;1-3-2/h2-5,10,22H,6-9H2,1H3;3H2,1-2H3
InChIKeyIPTKWQNELUAFSJ-UHFFFAOYSA-N
XLogP4.52
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.33
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-ol;propane?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-ol;propane (CID 143991083) is 2-(4-bromo-2-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-ol;propane.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-ol;propane?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-ol;propane is CCC.CN1CCN(c2ccc(O)c(-c3ccc(Br)cc3F)n2)CC1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-ol;propane?
The InChIKey is IPTKWQNELUAFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN3O.C3H8/c1-20-6-8-21(9-7-20)15-5-4-14(22)16(19-15)12-3-2-11(17)10-13(12)18;1-3-2/h2-5,10,22H,6-9H2,1H3;3H2,1-2H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-ol;propane?
2-(4-bromo-2-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-ol;propane has a molecular weight of 410.33 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-ol;propane is sourced from PubChem (CID 143991083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).