2-(6-hydroxynaphthalen-2-yl)benzene-1,3-dicarbonitrile

C18H10N2O — CID 142793758

IUPAC2-(6-hydroxynaphthalen-2-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1ccc2cc(O)ccc2c1
InChIInChI=1S/C18H10N2O/c19-10-15-2-1-3-16(11-20)18(15)14-5-4-13-9-17(21)7-6-12(13)8-14/h1-9,21H
InChIKeyKIGMDVLUOQKYIX-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.96
Rot. Bonds1

About 2-(6-hydroxynaphthalen-2-yl)benzene-1,3-dicarbonitrile

2-(6-hydroxynaphthalen-2-yl)benzene-1,3-dicarbonitrile (PubChem CID 142793758) has the molecular formula C18H10N2O and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(6-hydroxynaphthalen-2-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-(6-hydroxynaphthalen-2-yl)benzene-1,3-dicarbonitrile
PubChem CID142793758
Molecular FormulaC18H10N2O
Molecular Weight270.29 g/mol
Exact Mass270.08
IUPAC Name2-(6-hydroxynaphthalen-2-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1ccc2cc(O)ccc2c1
InChIInChI=1S/C18H10N2O/c19-10-15-2-1-3-16(11-20)18(15)14-5-4-13-9-17(21)7-6-12(13)8-14/h1-9,21H
InChIKeyKIGMDVLUOQKYIX-UHFFFAOYSA-N
XLogP3.96
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dihydroxy-2-(6-hydroxynaphthalen-2-yl)benzene-1,3-dicarbonitrile
CID 72551011
6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-ol
CID 58876156
6-(4-hydroxyphenyl)naphthalen-2-ol;methane
CID 69476314
4-hydroxy-2-phenylbenzonitrile
CID 66882443
6-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)naphthalen-2-ol
CID 118286198
5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol
CID 11514345
6-(2-hydroxyphenyl)naphthalen-2-ol
CID 11368353
2-(6-hydroxynaphthalen-2-yl)-3-methoxybenzoic acid
CID 123626157
4,5-dinaphthalen-2-ylbenzene-1,2-dicarbonitrile
CID 135379494
naphthalen-2-ol
CID 71750931
sodium;hydride;naphthalene-2,6-diol
CID 174639769
2,4-dihydroxybenzonitrile
CID 3017520

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxynaphthalen-2-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2-(6-hydroxynaphthalen-2-yl)benzene-1,3-dicarbonitrile (CID 142793758) is 2-(6-hydroxynaphthalen-2-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-(6-hydroxynaphthalen-2-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-(6-hydroxynaphthalen-2-yl)benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1-c1ccc2cc(O)ccc2c1.
What is the InChIKey of 2-(6-hydroxynaphthalen-2-yl)benzene-1,3-dicarbonitrile?
The InChIKey is KIGMDVLUOQKYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2O/c19-10-15-2-1-3-16(11-20)18(15)14-5-4-13-9-17(21)7-6-12(13)8-14/h1-9,21H.
What are the key properties of 2-(6-hydroxynaphthalen-2-yl)benzene-1,3-dicarbonitrile?
2-(6-hydroxynaphthalen-2-yl)benzene-1,3-dicarbonitrile has a molecular weight of 270.29 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxynaphthalen-2-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 142793758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).