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

C18H13N3O6 — CID 18345669

IUPAC2-(4-carboxy-2-pyridinyl)-6-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc(C(=O)O)cc(-c3cc(OCO)ccn3)n2)c1
InChIInChI=1S/C18H13N3O6/c22-9-27-12-2-4-20-14(8-12)16-7-11(18(25)26)6-15(21-16)13-5-10(17(23)24)1-3-19-13/h1-8,22H,9H2,(H,23,24)(H,25,26)
InChIKeyRIIHRQMYNNJHOC-UHFFFAOYSA-N
MW367.32 g/mol
LogP1.93
Rot. Bonds6

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

2-(4-carboxy-2-pyridinyl)-6-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylic acid (PubChem CID 18345669) has the molecular formula C18H13N3O6 and a molecular weight of 367.32 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)-6-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-carboxy-2-pyridinyl)-6-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylic acid
PubChem CID18345669
Molecular FormulaC18H13N3O6
Molecular Weight367.32 g/mol
Exact Mass367.08
IUPAC Name2-(4-carboxy-2-pyridinyl)-6-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc(C(=O)O)cc(-c3cc(OCO)ccn3)n2)c1
InChIInChI=1S/C18H13N3O6/c22-9-27-12-2-4-20-14(8-12)16-7-11(18(25)26)6-15(21-16)13-5-10(17(23)24)1-3-19-13/h1-8,22H,9H2,(H,23,24)(H,25,26)
InChIKeyRIIHRQMYNNJHOC-UHFFFAOYSA-N
XLogP1.93
TPSA142.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(4-carboxy-2-pyridinyl)-6-[4-(hydroxymethoxy)-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

Related Compounds

4'-(Methoxycarbonyl)-[2,2'-bipyridine]-4-carboxylic acid
CID 25138011
5''-(4-Ethoxy-phenylcarbamoyl)-[2,2'']bipyridinyl-5-carboxylic acid
CID 14925426
methyl (2R,6S)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 54731329
2,2':6',2''-Terpyridine-4'-carboxylic Acid
CID 2762749
Methyl 2,2':6',2''-Terpyridine-4'-carboxylate
CID 10589647
Trimethyl 2,2':6',2''-Terpyridine-4,4',4''-tricarboxylate
CID 66776557
4-[6-(4-Methoxyphenyl)pyrazin-2-yl]benzoic acid
CID 118723883
Anamecouldnotbegeneratedforthisstructure
CID 11434639
US10752596, Example 20
CID 138532227
US10752596, Example 1
CID 138532294
US10752596, Example 37
CID 138532413
6-Methoxy-1,5-naphthyridine-4-carboxylic acid
CID 22281721

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-2-pyridinyl)-6-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-carboxy-2-pyridinyl)-6-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylic acid (CID 18345669) is 2-(4-carboxy-2-pyridinyl)-6-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)-6-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-carboxy-2-pyridinyl)-6-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cc(C(=O)O)cc(-c3cc(OCO)ccn3)n2)c1.
What is the InChIKey of 2-(4-carboxy-2-pyridinyl)-6-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylic acid?
The InChIKey is RIIHRQMYNNJHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O6/c22-9-27-12-2-4-20-14(8-12)16-7-11(18(25)26)6-15(21-16)13-5-10(17(23)24)1-3-19-13/h1-8,22H,9H2,(H,23,24)(H,25,26).
What are the key properties of 2-(4-carboxy-2-pyridinyl)-6-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylic acid?
2-(4-carboxy-2-pyridinyl)-6-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylic acid has a molecular weight of 367.32 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carboxy-2-pyridinyl)-6-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 18345669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).