3-(3,5-dicarboxy-1H-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid

C14H8N2O10 — CID 171369508

IUPAC3-(3,5-dicarboxy-1H-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(-c2[nH]c(C(=O)O)cc2C(=O)O)c(C(=O)O)n1
InChIInChI=1S/C14H8N2O10/c17-10(18)3-1-5(12(21)22)16-9(14(25)26)7(3)8-4(11(19)20)2-6(15-8)13(23)24/h1-2,15H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChIKeyOMWMZNBYJDZPNX-UHFFFAOYSA-N
MW364.22 g/mol
LogP0.57
Rot. Bonds6

About 3-(3,5-dicarboxy-1H-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid

3-(3,5-dicarboxy-1H-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid (PubChem CID 171369508) has the molecular formula C14H8N2O10 and a molecular weight of 364.22 g/mol. Its IUPAC name is 3-(3,5-dicarboxy-1H-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid.

Molecular Properties

Compound Name3-(3,5-dicarboxy-1H-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid
PubChem CID171369508
Molecular FormulaC14H8N2O10
Molecular Weight364.22 g/mol
Exact Mass364.02
IUPAC Name3-(3,5-dicarboxy-1H-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(-c2[nH]c(C(=O)O)cc2C(=O)O)c(C(=O)O)n1
InChIInChI=1S/C14H8N2O10/c17-10(18)3-1-5(12(21)22)16-9(14(25)26)7(3)8-4(11(19)20)2-6(15-8)13(23)24/h1-2,15H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChIKeyOMWMZNBYJDZPNX-UHFFFAOYSA-N
XLogP0.57
TPSA215.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.22
LogP ≤ 50.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dicarboxy-1H-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid?
The IUPAC name of 3-(3,5-dicarboxy-1H-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid (CID 171369508) is 3-(3,5-dicarboxy-1H-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid.
What is the SMILES notation for 3-(3,5-dicarboxy-1H-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid?
The canonical SMILES for 3-(3,5-dicarboxy-1H-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid is O=C(O)c1cc(C(=O)O)c(-c2[nH]c(C(=O)O)cc2C(=O)O)c(C(=O)O)n1.
What is the InChIKey of 3-(3,5-dicarboxy-1H-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid?
The InChIKey is OMWMZNBYJDZPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O10/c17-10(18)3-1-5(12(21)22)16-9(14(25)26)7(3)8-4(11(19)20)2-6(15-8)13(23)24/h1-2,15H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26).
What are the key properties of 3-(3,5-dicarboxy-1H-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid?
3-(3,5-dicarboxy-1H-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid has a molecular weight of 364.22 g/mol, XLogP of 0.57, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dicarboxy-1H-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid is sourced from PubChem (CID 171369508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).