sodium 3-hydroxynaphthalene-2,7-dicarbonitrile

C12H6N2NaO+ — CID 23118694

IUPACsodium 3-hydroxynaphthalene-2,7-dicarbonitrile
SMILESN#Cc1ccc2cc(O)c(C#N)cc2c1.[Na+]
InChIInChI=1S/C12H6N2O.Na/c13-6-8-1-2-9-5-12(15)11(7-14)4-10(9)3-8;/h1-5,15H;/q;+1
InChIKeyBRTJWONQWXHYJG-UHFFFAOYSA-N
MW217.18 g/mol
LogP-0.71
Rot. Bonds

About sodium 3-hydroxynaphthalene-2,7-dicarbonitrile

sodium 3-hydroxynaphthalene-2,7-dicarbonitrile (PubChem CID 23118694) has the molecular formula C12H6N2NaO+ and a molecular weight of 217.18 g/mol. Its IUPAC name is sodium 3-hydroxynaphthalene-2,7-dicarbonitrile.

Molecular Properties

Compound Namesodium 3-hydroxynaphthalene-2,7-dicarbonitrile
PubChem CID23118694
Molecular FormulaC12H6N2NaO+
Molecular Weight217.18 g/mol
Exact Mass217.04
IUPAC Namesodium 3-hydroxynaphthalene-2,7-dicarbonitrile
SMILESN#Cc1ccc2cc(O)c(C#N)cc2c1.[Na+]
InChIInChI=1S/C12H6N2O.Na/c13-6-8-1-2-9-5-12(15)11(7-14)4-10(9)3-8;/h1-5,15H;/q;+1
InChIKeyBRTJWONQWXHYJG-UHFFFAOYSA-N
XLogP-0.71
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 3-hydroxynaphthalene-2,7-dicarbonitrile?
The IUPAC name of sodium 3-hydroxynaphthalene-2,7-dicarbonitrile (CID 23118694) is sodium 3-hydroxynaphthalene-2,7-dicarbonitrile.
What is the SMILES notation for sodium 3-hydroxynaphthalene-2,7-dicarbonitrile?
The canonical SMILES for sodium 3-hydroxynaphthalene-2,7-dicarbonitrile is N#Cc1ccc2cc(O)c(C#N)cc2c1.[Na+].
What is the InChIKey of sodium 3-hydroxynaphthalene-2,7-dicarbonitrile?
The InChIKey is BRTJWONQWXHYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N2O.Na/c13-6-8-1-2-9-5-12(15)11(7-14)4-10(9)3-8;/h1-5,15H;/q;+1.
What are the key properties of sodium 3-hydroxynaphthalene-2,7-dicarbonitrile?
sodium 3-hydroxynaphthalene-2,7-dicarbonitrile has a molecular weight of 217.18 g/mol, XLogP of -0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-hydroxynaphthalene-2,7-dicarbonitrile is sourced from PubChem (CID 23118694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).