1-(4-bromo-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile

C16H14BrFN4O2 — CID 67446020

IUPAC1-(4-bromo-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile
SMILESN#Cc1nn(-c2ccc(Br)c(F)c2)c(=O)cc1OC1CCNCC1
InChIInChI=1S/C16H14BrFN4O2/c17-12-2-1-10(7-13(12)18)22-16(23)8-15(14(9-19)21-22)24-11-3-5-20-6-4-11/h1-2,7-8,11,20H,3-6H2
InChIKeyPZPWGGSWAARDIE-UHFFFAOYSA-N
MW393.22 g/mol
LogP2.14
Rot. Bonds3

About 1-(4-bromo-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile

1-(4-bromo-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile (PubChem CID 67446020) has the molecular formula C16H14BrFN4O2 and a molecular weight of 393.22 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile
PubChem CID67446020
Molecular FormulaC16H14BrFN4O2
Molecular Weight393.22 g/mol
Exact Mass392.03
IUPAC Name1-(4-bromo-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile
SMILESN#Cc1nn(-c2ccc(Br)c(F)c2)c(=O)cc1OC1CCNCC1
InChIInChI=1S/C16H14BrFN4O2/c17-12-2-1-10(7-13(12)18)22-16(23)8-15(14(9-19)21-22)24-11-3-5-20-6-4-11/h1-2,7-8,11,20H,3-6H2
InChIKeyPZPWGGSWAARDIE-UHFFFAOYSA-N
XLogP2.14
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile (CID 67446020) is 1-(4-bromo-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile is N#Cc1nn(-c2ccc(Br)c(F)c2)c(=O)cc1OC1CCNCC1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile?
The InChIKey is PZPWGGSWAARDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN4O2/c17-12-2-1-10(7-13(12)18)22-16(23)8-15(14(9-19)21-22)24-11-3-5-20-6-4-11/h1-2,7-8,11,20H,3-6H2.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile?
1-(4-bromo-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile has a molecular weight of 393.22 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-6-oxo-4-piperidin-4-yloxypyridazine-3-carbonitrile is sourced from PubChem (CID 67446020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).