6-[4-(2-carboxy-4-pyridinyl)-6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid

C23H14N4O6 — CID 176514695

IUPAC6-[4-(2-carboxy-4-pyridinyl)-6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(-c3cccc(C(=O)O)n3)nc(-c3cccc(C(=O)O)n3)c2)ccn1
InChIInChI=1S/C23H14N4O6/c28-21(29)16-5-1-3-14(25-16)18-10-13(12-7-8-24-20(9-12)23(32)33)11-19(27-18)15-4-2-6-17(26-15)22(30)31/h1-11H,(H,28,29)(H,30,31)(H,32,33)
InChIKeyKLDHBBJUKWJNJY-UHFFFAOYSA-N
MW442.39 g/mol
LogP3.36
Rot. Bonds6

About 6-[4-(2-carboxy-4-pyridinyl)-6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid

6-[4-(2-carboxy-4-pyridinyl)-6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid (PubChem CID 176514695) has the molecular formula C23H14N4O6 and a molecular weight of 442.39 g/mol. Its IUPAC name is 6-[4-(2-carboxy-4-pyridinyl)-6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(2-carboxy-4-pyridinyl)-6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid
PubChem CID176514695
Molecular FormulaC23H14N4O6
Molecular Weight442.39 g/mol
Exact Mass442.09
IUPAC Name6-[4-(2-carboxy-4-pyridinyl)-6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(-c3cccc(C(=O)O)n3)nc(-c3cccc(C(=O)O)n3)c2)ccn1
InChIInChI=1S/C23H14N4O6/c28-21(29)16-5-1-3-14(25-16)18-10-13(12-7-8-24-20(9-12)23(32)33)11-19(27-18)15-4-2-6-17(26-15)22(30)31/h1-11H,(H,28,29)(H,30,31)(H,32,33)
InChIKeyKLDHBBJUKWJNJY-UHFFFAOYSA-N
XLogP3.36
TPSA163.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.39
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[4-(2-carboxy-4-pyridinyl)-6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

Fusaric Acid
CID 3442
Chromium(III) picolinate
CID 151932
Isoquinoline-3-carboxylic acid
CID 124656
Chromium picolinate monohydrate
CID 22833491
3,5-Di(Pyridin-4-Yl)benzoic Acid
CID 46316420
5-Cyclohexylpicolinic acid
CID 658651
Picolinic acid, 5-pentyl-
CID 212527
Picolinic acid, 5-heptyl-
CID 212529
Picolinic acid, 5-propyl-
CID 217663
2-Pyridinecarboxylic acid, 5-(phenylmethyl)-
CID 3042842
5-Ethylpicolinic acid
CID 120375
5-(3-Methylbutyl)-2-pyridinecarboxylic acid
CID 39522

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-carboxy-4-pyridinyl)-6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(2-carboxy-4-pyridinyl)-6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid (CID 176514695) is 6-[4-(2-carboxy-4-pyridinyl)-6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(2-carboxy-4-pyridinyl)-6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(2-carboxy-4-pyridinyl)-6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid is O=C(O)c1cc(-c2cc(-c3cccc(C(=O)O)n3)nc(-c3cccc(C(=O)O)n3)c2)ccn1.
What is the InChIKey of 6-[4-(2-carboxy-4-pyridinyl)-6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid?
The InChIKey is KLDHBBJUKWJNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N4O6/c28-21(29)16-5-1-3-14(25-16)18-10-13(12-7-8-24-20(9-12)23(32)33)11-19(27-18)15-4-2-6-17(26-15)22(30)31/h1-11H,(H,28,29)(H,30,31)(H,32,33).
What are the key properties of 6-[4-(2-carboxy-4-pyridinyl)-6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid?
6-[4-(2-carboxy-4-pyridinyl)-6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid has a molecular weight of 442.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-carboxy-4-pyridinyl)-6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 176514695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).