6-cyanobenzene-1,2,3,4,5-pentacarboxylic acid

C12H5NO10 — CID 139992320

IUPAC6-cyanobenzene-1,2,3,4,5-pentacarboxylic acid
SMILESN#Cc1c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O
InChIInChI=1S/C12H5NO10/c13-1-2-3(8(14)15)5(10(18)19)7(12(22)23)6(11(20)21)4(2)9(16)17/h(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H,22,23)
InChIKeyZMAJGLUYUXNMEW-UHFFFAOYSA-N
MW323.17 g/mol
LogP0.05
Rot. Bonds5

About 6-cyanobenzene-1,2,3,4,5-pentacarboxylic acid

6-cyanobenzene-1,2,3,4,5-pentacarboxylic acid (PubChem CID 139992320) has the molecular formula C12H5NO10 and a molecular weight of 323.17 g/mol. Its IUPAC name is 6-cyanobenzene-1,2,3,4,5-pentacarboxylic acid.

Molecular Properties

Compound Name6-cyanobenzene-1,2,3,4,5-pentacarboxylic acid
PubChem CID139992320
Molecular FormulaC12H5NO10
Molecular Weight323.17 g/mol
Exact Mass322.99
IUPAC Name6-cyanobenzene-1,2,3,4,5-pentacarboxylic acid
SMILESN#Cc1c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O
InChIInChI=1S/C12H5NO10/c13-1-2-3(8(14)15)5(10(18)19)7(12(22)23)6(11(20)21)4(2)9(16)17/h(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H,22,23)
InChIKeyZMAJGLUYUXNMEW-UHFFFAOYSA-N
XLogP0.05
TPSA210.29 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 50.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyanobenzene-1,2,3,4,5-pentacarboxylic acid?
The IUPAC name of 6-cyanobenzene-1,2,3,4,5-pentacarboxylic acid (CID 139992320) is 6-cyanobenzene-1,2,3,4,5-pentacarboxylic acid.
What is the SMILES notation for 6-cyanobenzene-1,2,3,4,5-pentacarboxylic acid?
The canonical SMILES for 6-cyanobenzene-1,2,3,4,5-pentacarboxylic acid is N#Cc1c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O.
What is the InChIKey of 6-cyanobenzene-1,2,3,4,5-pentacarboxylic acid?
The InChIKey is ZMAJGLUYUXNMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5NO10/c13-1-2-3(8(14)15)5(10(18)19)7(12(22)23)6(11(20)21)4(2)9(16)17/h(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H,22,23).
What are the key properties of 6-cyanobenzene-1,2,3,4,5-pentacarboxylic acid?
6-cyanobenzene-1,2,3,4,5-pentacarboxylic acid has a molecular weight of 323.17 g/mol, XLogP of 0.05, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyanobenzene-1,2,3,4,5-pentacarboxylic acid is sourced from PubChem (CID 139992320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).