benzene-1,3-diol;bis(pyridine-4-carbonitrile)

C18H14N4O2 — CID 139038977

IUPACbenzene-1,3-diol;bis(pyridine-4-carbonitrile)
SMILESN#Cc1ccncc1.N#Cc1ccncc1.Oc1cccc(O)c1
InChIInChI=1S/2C6H4N2.C6H6O2/c2*7-5-6-1-3-8-4-2-6;7-5-2-1-3-6(8)4-5/h2*1-4H;1-4,7-8H
InChIKeyJSZUZXIUOPXKIU-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.00
Rot. Bonds

About benzene-1,3-diol;bis(pyridine-4-carbonitrile)

benzene-1,3-diol;bis(pyridine-4-carbonitrile) (PubChem CID 139038977) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is benzene-1,3-diol;bis(pyridine-4-carbonitrile).

Molecular Properties

Compound Namebenzene-1,3-diol;bis(pyridine-4-carbonitrile)
PubChem CID139038977
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Namebenzene-1,3-diol;bis(pyridine-4-carbonitrile)
SMILESN#Cc1ccncc1.N#Cc1ccncc1.Oc1cccc(O)c1
InChIInChI=1S/2C6H4N2.C6H6O2/c2*7-5-6-1-3-8-4-2-6;7-5-2-1-3-6(8)4-5/h2*1-4H;1-4,7-8H
InChIKeyJSZUZXIUOPXKIU-UHFFFAOYSA-N
XLogP3.00
TPSA113.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-Dihydroxybenzylidene)anabaseine
CID 135461178
1,3-Benzenediol, 5-[(1E)-2-(4-pyridinyl)ethenyl]-
CID 11564746
4-[(E)-(5-pyridin-3-yl-2,3-dihydropyrrol-4-ylidene)methyl]benzene-1,3-diol
CID 136244998
(E)-2-(4-Hydroxyphenyl)-3-(pyridin-3-yl)acrylonitrile (22)
CID 118986804
5-[4-(4-Pyridyl)phenyl]benzene-1,3-diol
CID 71460608
US9682910, 4-(2-(pyridin-3yl)ethyl)benzene-1,3-diol (27)
CID 44611841
5-(2-Pyridin-3-ylethyl)benzene-1,3-diol
CID 172440593
Benzene-1,4-diol;bis(pyridine)
CID 139063023
(Z)-1-Cyano-1-(3-pyridyl)-2-(4-hydroxyphenyl)ethene
CID 9837407
Benzene-1,3-diol;4-(2-pyridin-4-ylethyl)pyridine
CID 85802383
Benzene-1,3-diol;bis(pyridine-4-carboxamide)
CID 85859721
4-(4-Hydroxyphenyl)phenol;bis(pyridine-4-carbonitrile)
CID 86241417

Frequently Asked Questions

What is the IUPAC name of benzene-1,3-diol;bis(pyridine-4-carbonitrile)?
The IUPAC name of benzene-1,3-diol;bis(pyridine-4-carbonitrile) (CID 139038977) is benzene-1,3-diol;bis(pyridine-4-carbonitrile).
What is the SMILES notation for benzene-1,3-diol;bis(pyridine-4-carbonitrile)?
The canonical SMILES for benzene-1,3-diol;bis(pyridine-4-carbonitrile) is N#Cc1ccncc1.N#Cc1ccncc1.Oc1cccc(O)c1.
What is the InChIKey of benzene-1,3-diol;bis(pyridine-4-carbonitrile)?
The InChIKey is JSZUZXIUOPXKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H4N2.C6H6O2/c2*7-5-6-1-3-8-4-2-6;7-5-2-1-3-6(8)4-5/h2*1-4H;1-4,7-8H.
What are the key properties of benzene-1,3-diol;bis(pyridine-4-carbonitrile)?
benzene-1,3-diol;bis(pyridine-4-carbonitrile) has a molecular weight of 318.34 g/mol, XLogP of 3.00, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-diol;bis(pyridine-4-carbonitrile) is sourced from PubChem (CID 139038977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).