2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid

C18H11N3O6 — CID 11233869

IUPAC2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc(C(=O)O)cc(-c3cc(C(=O)O)ccn3)n2)c1
InChIInChI=1S/C18H11N3O6/c22-16(23)9-1-3-19-12(5-9)14-7-11(18(26)27)8-15(21-14)13-6-10(17(24)25)2-4-20-13/h1-8H,(H,22,23)(H,24,25)(H,26,27)
InChIKeyNTXWAWVRPLVLKC-UHFFFAOYSA-N
MW365.30 g/mol
LogP2.30
Rot. Bonds5

About 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid

2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid (PubChem CID 11233869) has the molecular formula C18H11N3O6 and a molecular weight of 365.30 g/mol. Its IUPAC name is 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid
PubChem CID11233869
Molecular FormulaC18H11N3O6
Molecular Weight365.30 g/mol
Exact Mass365.06
IUPAC Name2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc(C(=O)O)cc(-c3cc(C(=O)O)ccn3)n2)c1
InChIInChI=1S/C18H11N3O6/c22-16(23)9-1-3-19-12(5-9)14-7-11(18(26)27)8-15(21-14)13-6-10(17(24)25)2-4-20-13/h1-8H,(H,22,23)(H,24,25)(H,26,27)
InChIKeyNTXWAWVRPLVLKC-UHFFFAOYSA-N
XLogP2.30
TPSA150.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid?
The IUPAC name of 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid (CID 11233869) is 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cc(C(=O)O)cc(-c3cc(C(=O)O)ccn3)n2)c1.
What is the InChIKey of 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid?
The InChIKey is NTXWAWVRPLVLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O6/c22-16(23)9-1-3-19-12(5-9)14-7-11(18(26)27)8-15(21-14)13-6-10(17(24)25)2-4-20-13/h1-8H,(H,22,23)(H,24,25)(H,26,27).
What are the key properties of 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid?
2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid has a molecular weight of 365.30 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 11233869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).