2-[2-fluoro-5-(6-oxo-1H-pyridazin-4-yl)phenyl]pyridine-3-carbonitrile

C16H9FN4O — CID 67484423

IUPAC2-[2-fluoro-5-(6-oxo-1H-pyridazin-4-yl)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1-c1cc(-c2cn[nH]c(=O)c2)ccc1F
InChIInChI=1S/C16H9FN4O/c17-14-4-3-10(12-7-15(22)21-20-9-12)6-13(14)16-11(8-18)2-1-5-19-16/h1-7,9H,(H,21,22)
InChIKeyACRJHHKBOQMQOZ-UHFFFAOYSA-N
MW292.27 g/mol
LogP2.51
Rot. Bonds2

About 2-[2-fluoro-5-(6-oxo-1H-pyridazin-4-yl)phenyl]pyridine-3-carbonitrile

2-[2-fluoro-5-(6-oxo-1H-pyridazin-4-yl)phenyl]pyridine-3-carbonitrile (PubChem CID 67484423) has the molecular formula C16H9FN4O and a molecular weight of 292.27 g/mol. Its IUPAC name is 2-[2-fluoro-5-(6-oxo-1H-pyridazin-4-yl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-fluoro-5-(6-oxo-1H-pyridazin-4-yl)phenyl]pyridine-3-carbonitrile
PubChem CID67484423
Molecular FormulaC16H9FN4O
Molecular Weight292.27 g/mol
Exact Mass292.08
IUPAC Name2-[2-fluoro-5-(6-oxo-1H-pyridazin-4-yl)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1-c1cc(-c2cn[nH]c(=O)c2)ccc1F
InChIInChI=1S/C16H9FN4O/c17-14-4-3-10(12-7-15(22)21-20-9-12)6-13(14)16-11(8-18)2-1-5-19-16/h1-7,9H,(H,21,22)
InChIKeyACRJHHKBOQMQOZ-UHFFFAOYSA-N
XLogP2.51
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-(6-oxo-1H-pyridazin-4-yl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-fluoro-5-(6-oxo-1H-pyridazin-4-yl)phenyl]pyridine-3-carbonitrile (CID 67484423) is 2-[2-fluoro-5-(6-oxo-1H-pyridazin-4-yl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-fluoro-5-(6-oxo-1H-pyridazin-4-yl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-fluoro-5-(6-oxo-1H-pyridazin-4-yl)phenyl]pyridine-3-carbonitrile is N#Cc1cccnc1-c1cc(-c2cn[nH]c(=O)c2)ccc1F.
What is the InChIKey of 2-[2-fluoro-5-(6-oxo-1H-pyridazin-4-yl)phenyl]pyridine-3-carbonitrile?
The InChIKey is ACRJHHKBOQMQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN4O/c17-14-4-3-10(12-7-15(22)21-20-9-12)6-13(14)16-11(8-18)2-1-5-19-16/h1-7,9H,(H,21,22).
What are the key properties of 2-[2-fluoro-5-(6-oxo-1H-pyridazin-4-yl)phenyl]pyridine-3-carbonitrile?
2-[2-fluoro-5-(6-oxo-1H-pyridazin-4-yl)phenyl]pyridine-3-carbonitrile has a molecular weight of 292.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-(6-oxo-1H-pyridazin-4-yl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 67484423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).