oxalonitrile;pyridine;quinazoline;hydrochloride;hydrofluoride

C15H13ClFN5 — CID 158007828

IUPACoxalonitrile;pyridine;quinazoline;hydrochloride;hydrofluoride
SMILESCl.F.N#CC#N.c1ccc2ncncc2c1.c1ccncc1
InChIInChI=1S/C8H6N2.C5H5N.C2N2.ClH.FH/c1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-6-5-3-1;3-1-2-4;;/h1-6H;1-5H;;2*1H
InChIKeyWBZLGKAERDHOLH-UHFFFAOYSA-N
MW317.76 g/mol
LogP3.32
Rot. Bonds

About oxalonitrile;pyridine;quinazoline;hydrochloride;hydrofluoride

oxalonitrile;pyridine;quinazoline;hydrochloride;hydrofluoride (PubChem CID 158007828) has the molecular formula C15H13ClFN5 and a molecular weight of 317.76 g/mol. Its IUPAC name is oxalonitrile;pyridine;quinazoline;hydrochloride;hydrofluoride.

Molecular Properties

Compound Nameoxalonitrile;pyridine;quinazoline;hydrochloride;hydrofluoride
PubChem CID158007828
Molecular FormulaC15H13ClFN5
Molecular Weight317.76 g/mol
Exact Mass317.08
IUPAC Nameoxalonitrile;pyridine;quinazoline;hydrochloride;hydrofluoride
SMILESCl.F.N#CC#N.c1ccc2ncncc2c1.c1ccncc1
InChIInChI=1S/C8H6N2.C5H5N.C2N2.ClH.FH/c1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-6-5-3-1;3-1-2-4;;/h1-6H;1-5H;;2*1H
InChIKeyWBZLGKAERDHOLH-UHFFFAOYSA-N
XLogP3.32
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.76
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of oxalonitrile;pyridine;quinazoline;hydrochloride;hydrofluoride?
The IUPAC name of oxalonitrile;pyridine;quinazoline;hydrochloride;hydrofluoride (CID 158007828) is oxalonitrile;pyridine;quinazoline;hydrochloride;hydrofluoride.
What is the SMILES notation for oxalonitrile;pyridine;quinazoline;hydrochloride;hydrofluoride?
The canonical SMILES for oxalonitrile;pyridine;quinazoline;hydrochloride;hydrofluoride is Cl.F.N#CC#N.c1ccc2ncncc2c1.c1ccncc1.
What is the InChIKey of oxalonitrile;pyridine;quinazoline;hydrochloride;hydrofluoride?
The InChIKey is WBZLGKAERDHOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.C5H5N.C2N2.ClH.FH/c1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-6-5-3-1;3-1-2-4;;/h1-6H;1-5H;;2*1H.
What are the key properties of oxalonitrile;pyridine;quinazoline;hydrochloride;hydrofluoride?
oxalonitrile;pyridine;quinazoline;hydrochloride;hydrofluoride has a molecular weight of 317.76 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxalonitrile;pyridine;quinazoline;hydrochloride;hydrofluoride is sourced from PubChem (CID 158007828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).