bis(4-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine

C26H20N4O2 — CID 139038975

IUPACbis(4-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine
SMILESC(=C/c1ccncc1)\c1ccncc1.N#Cc1ccc(O)cc1.N#Cc1ccc(O)cc1
InChIInChI=1S/C12H10N2.2C7H5NO/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;2*8-5-6-1-3-7(9)4-2-6/h1-10H;2*1-4,9H/b2-1+;;
InChIKeyRUSBSMHYRWFXMB-SEPHDYHBSA-N
MW420.47 g/mol
LogP5.17
Rot. Bonds2

About bis(4-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine

bis(4-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine (PubChem CID 139038975) has the molecular formula C26H20N4O2 and a molecular weight of 420.47 g/mol. Its IUPAC name is bis(4-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine.

Molecular Properties

Compound Namebis(4-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine
PubChem CID139038975
Molecular FormulaC26H20N4O2
Molecular Weight420.47 g/mol
Exact Mass420.16
IUPAC Namebis(4-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine
SMILESC(=C/c1ccncc1)\c1ccncc1.N#Cc1ccc(O)cc1.N#Cc1ccc(O)cc1
InChIInChI=1S/C12H10N2.2C7H5NO/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;2*8-5-6-1-3-7(9)4-2-6/h1-10H;2*1-4,9H/b2-1+;;
InChIKeyRUSBSMHYRWFXMB-SEPHDYHBSA-N
XLogP5.17
TPSA113.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine?
The IUPAC name of bis(4-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine (CID 139038975) is bis(4-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine.
What is the SMILES notation for bis(4-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine?
The canonical SMILES for bis(4-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine is C(=C/c1ccncc1)\c1ccncc1.N#Cc1ccc(O)cc1.N#Cc1ccc(O)cc1.
What is the InChIKey of bis(4-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine?
The InChIKey is RUSBSMHYRWFXMB-SEPHDYHBSA-N. The full InChI is InChI=1S/C12H10N2.2C7H5NO/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;2*8-5-6-1-3-7(9)4-2-6/h1-10H;2*1-4,9H/b2-1+;;.
What are the key properties of bis(4-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine?
bis(4-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine has a molecular weight of 420.47 g/mol, XLogP of 5.17, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine is sourced from PubChem (CID 139038975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).