bis(4-hydroxybenzonitrile);4-pyridin-4-ylpyridine

C24H18N4O2 — CID 139038973

IUPACbis(4-hydroxybenzonitrile);4-pyridin-4-ylpyridine
SMILESN#Cc1ccc(O)cc1.N#Cc1ccc(O)cc1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C10H8N2.2C7H5NO/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*8-5-6-1-3-7(9)4-2-6/h1-8H;2*1-4,9H
InChIKeyTUIRZVGYRHMCJX-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.67
Rot. Bonds1

About bis(4-hydroxybenzonitrile);4-pyridin-4-ylpyridine

bis(4-hydroxybenzonitrile);4-pyridin-4-ylpyridine (PubChem CID 139038973) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is bis(4-hydroxybenzonitrile);4-pyridin-4-ylpyridine.

Molecular Properties

Compound Namebis(4-hydroxybenzonitrile);4-pyridin-4-ylpyridine
PubChem CID139038973
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Namebis(4-hydroxybenzonitrile);4-pyridin-4-ylpyridine
SMILESN#Cc1ccc(O)cc1.N#Cc1ccc(O)cc1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C10H8N2.2C7H5NO/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*8-5-6-1-3-7(9)4-2-6/h1-8H;2*1-4,9H
InChIKeyTUIRZVGYRHMCJX-UHFFFAOYSA-N
XLogP4.67
TPSA113.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 69046
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CID 46901446
3-Fluoro-4''-(pyridin-4-ylmethyl)biphenyl-4-ol
CID 46901611
4-[(4''-Hydroxybiphenyl-4-yl)methyl]pyridine
CID 49864181
Pyridinium, 4-[2-(4-hydroxyphenyl)ethenyl]-1-methyl-
CID 209741
4-[5-(4-Hydroxyphenyl)-3-pyridinyl]phenol
CID 10422855
4''-(2-Methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-3-ol
CID 46854605
3-Fluoro-4''-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-4-ol
CID 49799473
3-(4-Hydroxybenzylidene)anabaseine
CID 135530053
4-[(E)-2-pyridin-3-ylvinyl]phenol
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CID 5339679

Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxybenzonitrile);4-pyridin-4-ylpyridine?
The IUPAC name of bis(4-hydroxybenzonitrile);4-pyridin-4-ylpyridine (CID 139038973) is bis(4-hydroxybenzonitrile);4-pyridin-4-ylpyridine.
What is the SMILES notation for bis(4-hydroxybenzonitrile);4-pyridin-4-ylpyridine?
The canonical SMILES for bis(4-hydroxybenzonitrile);4-pyridin-4-ylpyridine is N#Cc1ccc(O)cc1.N#Cc1ccc(O)cc1.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of bis(4-hydroxybenzonitrile);4-pyridin-4-ylpyridine?
The InChIKey is TUIRZVGYRHMCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.2C7H5NO/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*8-5-6-1-3-7(9)4-2-6/h1-8H;2*1-4,9H.
What are the key properties of bis(4-hydroxybenzonitrile);4-pyridin-4-ylpyridine?
bis(4-hydroxybenzonitrile);4-pyridin-4-ylpyridine has a molecular weight of 394.43 g/mol, XLogP of 4.67, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hydroxybenzonitrile);4-pyridin-4-ylpyridine is sourced from PubChem (CID 139038973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).