4-cyanonaphthalene-2,6-dicarboxylic acid

C13H7NO4 — CID 132573257

IUPAC4-cyanonaphthalene-2,6-dicarboxylic acid
SMILESN#Cc1cc(C(=O)O)cc2ccc(C(=O)O)cc12
InChIInChI=1S/C13H7NO4/c14-6-10-4-9(13(17)18)3-7-1-2-8(12(15)16)5-11(7)10/h1-5H,(H,15,16)(H,17,18)
InChIKeyMMAJXFFEEWXYLW-UHFFFAOYSA-N
MW241.20 g/mol
LogP2.11
Rot. Bonds2

About 4-cyanonaphthalene-2,6-dicarboxylic acid

4-cyanonaphthalene-2,6-dicarboxylic acid (PubChem CID 132573257) has the molecular formula C13H7NO4 and a molecular weight of 241.20 g/mol. Its IUPAC name is 4-cyanonaphthalene-2,6-dicarboxylic acid.

Molecular Properties

Compound Name4-cyanonaphthalene-2,6-dicarboxylic acid
PubChem CID132573257
Molecular FormulaC13H7NO4
Molecular Weight241.20 g/mol
Exact Mass241.04
IUPAC Name4-cyanonaphthalene-2,6-dicarboxylic acid
SMILESN#Cc1cc(C(=O)O)cc2ccc(C(=O)O)cc12
InChIInChI=1S/C13H7NO4/c14-6-10-4-9(13(17)18)3-7-1-2-8(12(15)16)5-11(7)10/h1-5H,(H,15,16)(H,17,18)
InChIKeyMMAJXFFEEWXYLW-UHFFFAOYSA-N
XLogP2.11
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyanatonaphthalene-2,6-dicarboxylic acid
CID 139964498
5-acetamido-6-cyanonaphthalene-2-carboxylic acid
CID 163963890
4,5,8-tricyanonaphthalene-2-carboxylic acid
CID 139969732
3-cyano-4-methylbenzoic acid
CID 10012188
4-tert-butylnaphthalene-2,6-dicarboxylic acid
CID 23139718
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
CID 67200510
CID 67200510
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
magnesium;hydride;naphthalene-2,6-dicarboxylic acid
CID 173052863
ethene;naphthalene-2,6-dicarboxylic acid
CID 66988682
naphthalene-2,7-dicarboxylic acid;hydrobromide
CID 175255726
bis(chromium(3+));bis(3-cyano-4-fluorobenzoic acid);tris(oxygen(2-))
CID 173117282

Frequently Asked Questions

What is the IUPAC name of 4-cyanonaphthalene-2,6-dicarboxylic acid?
The IUPAC name of 4-cyanonaphthalene-2,6-dicarboxylic acid (CID 132573257) is 4-cyanonaphthalene-2,6-dicarboxylic acid.
What is the SMILES notation for 4-cyanonaphthalene-2,6-dicarboxylic acid?
The canonical SMILES for 4-cyanonaphthalene-2,6-dicarboxylic acid is N#Cc1cc(C(=O)O)cc2ccc(C(=O)O)cc12.
What is the InChIKey of 4-cyanonaphthalene-2,6-dicarboxylic acid?
The InChIKey is MMAJXFFEEWXYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7NO4/c14-6-10-4-9(13(17)18)3-7-1-2-8(12(15)16)5-11(7)10/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 4-cyanonaphthalene-2,6-dicarboxylic acid?
4-cyanonaphthalene-2,6-dicarboxylic acid has a molecular weight of 241.20 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyanonaphthalene-2,6-dicarboxylic acid is sourced from PubChem (CID 132573257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).