bis(4-hydroxybenzonitrile);4-(2-pyridin-4-ylethyl)pyridine

C26H22N4O2 — CID 139038974

IUPACbis(4-hydroxybenzonitrile);4-(2-pyridin-4-ylethyl)pyridine
SMILESN#Cc1ccc(O)cc1.N#Cc1ccc(O)cc1.c1cc(CCc2ccncc2)ccn1
InChIInChI=1S/C12H12N2.2C7H5NO/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/h3-10H,1-2H2;2*1-4,9H
InChIKeyACJOMXFNCDRJJK-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.79
Rot. Bonds3

About bis(4-hydroxybenzonitrile);4-(2-pyridin-4-ylethyl)pyridine

bis(4-hydroxybenzonitrile);4-(2-pyridin-4-ylethyl)pyridine (PubChem CID 139038974) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is bis(4-hydroxybenzonitrile);4-(2-pyridin-4-ylethyl)pyridine.

Molecular Properties

Compound Namebis(4-hydroxybenzonitrile);4-(2-pyridin-4-ylethyl)pyridine
PubChem CID139038974
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Namebis(4-hydroxybenzonitrile);4-(2-pyridin-4-ylethyl)pyridine
SMILESN#Cc1ccc(O)cc1.N#Cc1ccc(O)cc1.c1cc(CCc2ccncc2)ccn1
InChIInChI=1S/C12H12N2.2C7H5NO/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/h3-10H,1-2H2;2*1-4,9H
InChIKeyACJOMXFNCDRJJK-UHFFFAOYSA-N
XLogP4.79
TPSA113.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
4''-(1-(Pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854448
4''-(2-Methyl-1-(pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854449
3-Fluoro-4''-(1-(pyridin-4-yl)propyl)biphenyl-4-ol
CID 46854606
4''-(Pyridin-4-ylmethyl)biphenyl-3-ol
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

Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxybenzonitrile);4-(2-pyridin-4-ylethyl)pyridine?
The IUPAC name of bis(4-hydroxybenzonitrile);4-(2-pyridin-4-ylethyl)pyridine (CID 139038974) is bis(4-hydroxybenzonitrile);4-(2-pyridin-4-ylethyl)pyridine.
What is the SMILES notation for bis(4-hydroxybenzonitrile);4-(2-pyridin-4-ylethyl)pyridine?
The canonical SMILES for bis(4-hydroxybenzonitrile);4-(2-pyridin-4-ylethyl)pyridine is N#Cc1ccc(O)cc1.N#Cc1ccc(O)cc1.c1cc(CCc2ccncc2)ccn1.
What is the InChIKey of bis(4-hydroxybenzonitrile);4-(2-pyridin-4-ylethyl)pyridine?
The InChIKey is ACJOMXFNCDRJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.2C7H5NO/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/h3-10H,1-2H2;2*1-4,9H.
What are the key properties of bis(4-hydroxybenzonitrile);4-(2-pyridin-4-ylethyl)pyridine?
bis(4-hydroxybenzonitrile);4-(2-pyridin-4-ylethyl)pyridine has a molecular weight of 422.49 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hydroxybenzonitrile);4-(2-pyridin-4-ylethyl)pyridine is sourced from PubChem (CID 139038974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).