bis(3-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine

C26H20N4O2 — CID 139038968

IUPACbis(3-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine
SMILESC(=C/c1ccncc1)\c1ccncc1.N#Cc1cccc(O)c1.N#Cc1cccc(O)c1
InChIInChI=1S/C12H10N2.2C7H5NO/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;2*8-5-6-2-1-3-7(9)4-6/h1-10H;2*1-4,9H/b2-1+;;
InChIKeyARPYAAKTBCXSEV-SEPHDYHBSA-N
MW420.47 g/mol
LogP5.17
Rot. Bonds2

About bis(3-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine

bis(3-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine (PubChem CID 139038968) has the molecular formula C26H20N4O2 and a molecular weight of 420.47 g/mol. Its IUPAC name is bis(3-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine.

Molecular Properties

Compound Namebis(3-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine
PubChem CID139038968
Molecular FormulaC26H20N4O2
Molecular Weight420.47 g/mol
Exact Mass420.16
IUPAC Namebis(3-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine
SMILESC(=C/c1ccncc1)\c1ccncc1.N#Cc1cccc(O)c1.N#Cc1cccc(O)c1
InChIInChI=1S/C12H10N2.2C7H5NO/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;2*8-5-6-2-1-3-7(9)4-6/h1-10H;2*1-4,9H/b2-1+;;
InChIKeyARPYAAKTBCXSEV-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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Related Compounds

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4''-(Pyridin-4-ylmethyl)biphenyl-3-ol
CID 46901446
4''-(2-Methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-3-ol
CID 46854605
3-(2-(4-Pyridinyl)vinyl)phenol
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3-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
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3-[3,4-Dimethyl-1-(2-pyridin-4-yl-ethyl)-piperidin-4-yl]-phenol
CID 10041075
3-[1-[2-(4-Iodophenyl)prop-2-enyl]pyridin-1-ium-4-yl]phenol bromide
CID 24799456
3-(3-Hydroxybenzylidene)anabaseine
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(Z)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
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Frequently Asked Questions

What is the IUPAC name of bis(3-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine?
The IUPAC name of bis(3-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine (CID 139038968) is bis(3-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine.
What is the SMILES notation for bis(3-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine?
The canonical SMILES for bis(3-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine is C(=C/c1ccncc1)\c1ccncc1.N#Cc1cccc(O)c1.N#Cc1cccc(O)c1.
What is the InChIKey of bis(3-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine?
The InChIKey is ARPYAAKTBCXSEV-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*8-5-6-2-1-3-7(9)4-6/h1-10H;2*1-4,9H/b2-1+;;.
What are the key properties of bis(3-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine?
bis(3-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(3-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine is sourced from PubChem (CID 139038968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).