3-acetyl-1-(6-fluoropyridazin-3-yl)indole-5-carbonitrile

C15H9FN4O — CID 118447264

IUPAC3-acetyl-1-(6-fluoropyridazin-3-yl)indole-5-carbonitrile
SMILESCC(=O)c1cn(-c2ccc(F)nn2)c2ccc(C#N)cc12
InChIInChI=1S/C15H9FN4O/c1-9(21)12-8-20(15-5-4-14(16)18-19-15)13-3-2-10(7-17)6-11(12)13/h2-6,8H,1H3
InChIKeyQNDBDKMVNKKRCR-UHFFFAOYSA-N
MW280.26 g/mol
LogP2.63
Rot. Bonds2

About 3-acetyl-1-(6-fluoropyridazin-3-yl)indole-5-carbonitrile

3-acetyl-1-(6-fluoropyridazin-3-yl)indole-5-carbonitrile (PubChem CID 118447264) has the molecular formula C15H9FN4O and a molecular weight of 280.26 g/mol. Its IUPAC name is 3-acetyl-1-(6-fluoropyridazin-3-yl)indole-5-carbonitrile.

Molecular Properties

Compound Name3-acetyl-1-(6-fluoropyridazin-3-yl)indole-5-carbonitrile
PubChem CID118447264
Molecular FormulaC15H9FN4O
Molecular Weight280.26 g/mol
Exact Mass280.08
IUPAC Name3-acetyl-1-(6-fluoropyridazin-3-yl)indole-5-carbonitrile
SMILESCC(=O)c1cn(-c2ccc(F)nn2)c2ccc(C#N)cc12
InChIInChI=1S/C15H9FN4O/c1-9(21)12-8-20(15-5-4-14(16)18-19-15)13-3-2-10(7-17)6-11(12)13/h2-6,8H,1H3
InChIKeyQNDBDKMVNKKRCR-UHFFFAOYSA-N
XLogP2.63
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-(6-fluoropyridazin-3-yl)indole-5-carbonitrile?
The IUPAC name of 3-acetyl-1-(6-fluoropyridazin-3-yl)indole-5-carbonitrile (CID 118447264) is 3-acetyl-1-(6-fluoropyridazin-3-yl)indole-5-carbonitrile.
What is the SMILES notation for 3-acetyl-1-(6-fluoropyridazin-3-yl)indole-5-carbonitrile?
The canonical SMILES for 3-acetyl-1-(6-fluoropyridazin-3-yl)indole-5-carbonitrile is CC(=O)c1cn(-c2ccc(F)nn2)c2ccc(C#N)cc12.
What is the InChIKey of 3-acetyl-1-(6-fluoropyridazin-3-yl)indole-5-carbonitrile?
The InChIKey is QNDBDKMVNKKRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4O/c1-9(21)12-8-20(15-5-4-14(16)18-19-15)13-3-2-10(7-17)6-11(12)13/h2-6,8H,1H3.
What are the key properties of 3-acetyl-1-(6-fluoropyridazin-3-yl)indole-5-carbonitrile?
3-acetyl-1-(6-fluoropyridazin-3-yl)indole-5-carbonitrile has a molecular weight of 280.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-(6-fluoropyridazin-3-yl)indole-5-carbonitrile is sourced from PubChem (CID 118447264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).