1H-pyrrole-2,3,4-tricarboxylic acid

C7H5NO6 — CID 71423390

IUPAC1H-pyrrole-2,3,4-tricarboxylic acid
SMILESO=C(O)c1c[nH]c(C(=O)O)c1C(=O)O
InChIInChI=1S/C7H5NO6/c9-5(10)2-1-8-4(7(13)14)3(2)6(11)12/h1,8H,(H,9,10)(H,11,12)(H,13,14)
InChIKeyIBLWXWNVAFCXCW-UHFFFAOYSA-N
MW199.12 g/mol
LogP0.11
Rot. Bonds3

About 1H-pyrrole-2,3,4-tricarboxylic acid

1H-pyrrole-2,3,4-tricarboxylic acid (PubChem CID 71423390) has the molecular formula C7H5NO6 and a molecular weight of 199.12 g/mol. Its IUPAC name is 1H-pyrrole-2,3,4-tricarboxylic acid.

Molecular Properties

Compound Name1H-pyrrole-2,3,4-tricarboxylic acid
PubChem CID71423390
Molecular FormulaC7H5NO6
Molecular Weight199.12 g/mol
Exact Mass199.01
IUPAC Name1H-pyrrole-2,3,4-tricarboxylic acid
SMILESO=C(O)c1c[nH]c(C(=O)O)c1C(=O)O
InChIInChI=1S/C7H5NO6/c9-5(10)2-1-8-4(7(13)14)3(2)6(11)12/h1,8H,(H,9,10)(H,11,12)(H,13,14)
InChIKeyIBLWXWNVAFCXCW-UHFFFAOYSA-N
XLogP0.11
TPSA127.69 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.12
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrole-2,3,4-tricarboxylic acid?
The IUPAC name of 1H-pyrrole-2,3,4-tricarboxylic acid (CID 71423390) is 1H-pyrrole-2,3,4-tricarboxylic acid.
What is the SMILES notation for 1H-pyrrole-2,3,4-tricarboxylic acid?
The canonical SMILES for 1H-pyrrole-2,3,4-tricarboxylic acid is O=C(O)c1c[nH]c(C(=O)O)c1C(=O)O.
What is the InChIKey of 1H-pyrrole-2,3,4-tricarboxylic acid?
The InChIKey is IBLWXWNVAFCXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO6/c9-5(10)2-1-8-4(7(13)14)3(2)6(11)12/h1,8H,(H,9,10)(H,11,12)(H,13,14).
What are the key properties of 1H-pyrrole-2,3,4-tricarboxylic acid?
1H-pyrrole-2,3,4-tricarboxylic acid has a molecular weight of 199.12 g/mol, XLogP of 0.11, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrole-2,3,4-tricarboxylic acid is sourced from PubChem (CID 71423390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).