naphthalene-2,3-dicarbonitrile

C12H6N2 — CID 601270

IUPACnaphthalene-2,3-dicarbonitrile
SMILESN#Cc1cc2ccccc2cc1C#N
InChIInChI=1S/C12H6N2/c13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14/h1-6H
InChIKeyKNBYJRSSFXTESR-UHFFFAOYSA-N
MW178.19 g/mol
LogP2.58
Rot. Bonds

About naphthalene-2,3-dicarbonitrile

naphthalene-2,3-dicarbonitrile (PubChem CID 601270) has the molecular formula C12H6N2 and a molecular weight of 178.19 g/mol. Its IUPAC name is naphthalene-2,3-dicarbonitrile.

Molecular Properties

Compound Namenaphthalene-2,3-dicarbonitrile
PubChem CID601270
Molecular FormulaC12H6N2
Molecular Weight178.19 g/mol
Exact Mass178.05
IUPAC Namenaphthalene-2,3-dicarbonitrile
SMILESN#Cc1cc2ccccc2cc1C#N
InChIInChI=1S/C12H6N2/c13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14/h1-6H
InChIKeyKNBYJRSSFXTESR-UHFFFAOYSA-N
XLogP2.58
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of naphthalene-2,3-dicarbonitrile?
The IUPAC name of naphthalene-2,3-dicarbonitrile (CID 601270) is naphthalene-2,3-dicarbonitrile.
What is the SMILES notation for naphthalene-2,3-dicarbonitrile?
The canonical SMILES for naphthalene-2,3-dicarbonitrile is N#Cc1cc2ccccc2cc1C#N.
What is the InChIKey of naphthalene-2,3-dicarbonitrile?
The InChIKey is KNBYJRSSFXTESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N2/c13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14/h1-6H.
What are the key properties of naphthalene-2,3-dicarbonitrile?
naphthalene-2,3-dicarbonitrile has a molecular weight of 178.19 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-2,3-dicarbonitrile is sourced from PubChem (CID 601270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).