5-(2-carboxyphenyl)pyridine-3-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylic acid;pyrazine-2,5-dicarboxylic acid;pyridine-2,5-dicarboxylic acid

C50H34N8O20 — CID 159208110

IUPAC5-(2-carboxyphenyl)pyridine-3-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylic acid;pyrazine-2,5-dicarboxylic acid;pyridine-2,5-dicarboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(C(=O)O)cn2)nc1.O=C(O)c1ccc(C(=O)O)nc1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C(O)c1cnc(C(=O)O)cn1.O=C(O)c1cncc(-c2ccccc2C(=O)O)c1
InChIInChI=1S/C13H9NO4.2C12H8N2O4.C7H5NO4.C6H4N2O4/c15-12(16)9-5-8(6-14-7-9)10-3-1-2-4-11(10)13(17)18;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;15-11(16)7-1-3-9(13-5-7)10-4-2-8(6-14-10)12(17)18;9-6(10)4-1-2-5(7(11)12)8-3-4;9-5(10)3-1-7-4(2-8-3)6(11)12/h1-7H,(H,15,16)(H,17,18);2*1-6H,(H,15,16)(H,17,18);1-3H,(H,9,10)(H,11,12);1-2H,(H,9,10)(H,11,12)
InChIKeyKQDGUZYTVXXUDW-UHFFFAOYSA-N
MW1066.86 g/mol
LogP5.58
Rot. Bonds13

About 5-(2-carboxyphenyl)pyridine-3-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylic acid;pyrazine-2,5-dicarboxylic acid;pyridine-2,5-dicarboxylic acid

5-(2-carboxyphenyl)pyridine-3-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylic acid;pyrazine-2,5-dicarboxylic acid;pyridine-2,5-dicarboxylic acid (PubChem CID 159208110) has the molecular formula C50H34N8O20 and a molecular weight of 1066.86 g/mol. Its IUPAC name is 5-(2-carboxyphenyl)pyridine-3-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylic acid;pyrazine-2,5-dicarboxylic acid;pyridine-2,5-dicarboxylic acid.

Molecular Properties

Compound Name5-(2-carboxyphenyl)pyridine-3-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylic acid;pyrazine-2,5-dicarboxylic acid;pyridine-2,5-dicarboxylic acid
PubChem CID159208110
Molecular FormulaC50H34N8O20
Molecular Weight1066.86 g/mol
Exact Mass1066.19
IUPAC Name5-(2-carboxyphenyl)pyridine-3-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylic acid;pyrazine-2,5-dicarboxylic acid;pyridine-2,5-dicarboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(C(=O)O)cn2)nc1.O=C(O)c1ccc(C(=O)O)nc1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C(O)c1cnc(C(=O)O)cn1.O=C(O)c1cncc(-c2ccccc2C(=O)O)c1
InChIInChI=1S/C13H9NO4.2C12H8N2O4.C7H5NO4.C6H4N2O4/c15-12(16)9-5-8(6-14-7-9)10-3-1-2-4-11(10)13(17)18;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;15-11(16)7-1-3-9(13-5-7)10-4-2-8(6-14-10)12(17)18;9-6(10)4-1-2-5(7(11)12)8-3-4;9-5(10)3-1-7-4(2-8-3)6(11)12/h1-7H,(H,15,16)(H,17,18);2*1-6H,(H,15,16)(H,17,18);1-3H,(H,9,10)(H,11,12);1-2H,(H,9,10)(H,11,12)
InChIKeyKQDGUZYTVXXUDW-UHFFFAOYSA-N
XLogP5.58
TPSA476.12 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms78
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001066.86
LogP ≤ 55.58
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Analyze 5-(2-carboxyphenyl)pyridine-3-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylic acid;pyrazine-2,5-dicarboxylic acid;pyridine-2,5-dicarboxylic 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

Bis(isothiocyanato)bis(2,2'-bipyridyl-4,4'-dicarboxylato)ruthenium(II)
CID 10985370
Ruthenium bis(bipyridine)dicarboxybipyridine
CID 3081541
Di-tetrabutylammonium cis-bis(isothiocyanato)bis(2,2'-bipyridyl-4,4'-dicarboxylato)ruthenium(II), 95% (NMR)
CID 71310680
Bis(2,2'-bipyridyl-4,4'-dicarboxylate) ruthenium
CID 129664332
4'-(4-Carboxyphenyl)-[2,2':6',2''-terpyridine]-5,5''-dicarboxylic acid
CID 132543308
cis-Bis(isothiocyanato)bis(2,2'-bipyridyl-4,4'-dicarboxylato)ruthenium(II)
CID 15972006
methane;6-pyrazin-2-ylpyridine-3-carboxylic acid;6-pyrazin-2-yl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine
CID 159136642
Ethyl 2-(4-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxylate;ethyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate;2-(4-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-(4-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-phenyl-6-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate;2-phenyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 159227653
2-Methyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;3-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;4-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxylate;bis(methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylate);2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid
CID 160696486
Benzoic acid;manganese;tetrakis(2-pyridin-2-ylpyridine);diperchlorate
CID 15377128
Ruthenium(II)-tris(2,2'-bipyridyl-4,4'-dicarboxylate)
CID 129713188
4,6-Diphenyl-3,3'-bipyridine-2,2'-dicarboxylic acid
CID 129741080

Frequently Asked Questions

What is the IUPAC name of 5-(2-carboxyphenyl)pyridine-3-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylic acid;pyrazine-2,5-dicarboxylic acid;pyridine-2,5-dicarboxylic acid?
The IUPAC name of 5-(2-carboxyphenyl)pyridine-3-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylic acid;pyrazine-2,5-dicarboxylic acid;pyridine-2,5-dicarboxylic acid (CID 159208110) is 5-(2-carboxyphenyl)pyridine-3-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylic acid;pyrazine-2,5-dicarboxylic acid;pyridine-2,5-dicarboxylic acid.
What is the SMILES notation for 5-(2-carboxyphenyl)pyridine-3-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylic acid;pyrazine-2,5-dicarboxylic acid;pyridine-2,5-dicarboxylic acid?
The canonical SMILES for 5-(2-carboxyphenyl)pyridine-3-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylic acid;pyrazine-2,5-dicarboxylic acid;pyridine-2,5-dicarboxylic acid is O=C(O)c1ccc(-c2ccc(C(=O)O)cn2)nc1.O=C(O)c1ccc(C(=O)O)nc1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C(O)c1cnc(C(=O)O)cn1.O=C(O)c1cncc(-c2ccccc2C(=O)O)c1.
What is the InChIKey of 5-(2-carboxyphenyl)pyridine-3-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylic acid;pyrazine-2,5-dicarboxylic acid;pyridine-2,5-dicarboxylic acid?
The InChIKey is KQDGUZYTVXXUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO4.2C12H8N2O4.C7H5NO4.C6H4N2O4/c15-12(16)9-5-8(6-14-7-9)10-3-1-2-4-11(10)13(17)18;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;15-11(16)7-1-3-9(13-5-7)10-4-2-8(6-14-10)12(17)18;9-6(10)4-1-2-5(7(11)12)8-3-4;9-5(10)3-1-7-4(2-8-3)6(11)12/h1-7H,(H,15,16)(H,17,18);2*1-6H,(H,15,16)(H,17,18);1-3H,(H,9,10)(H,11,12);1-2H,(H,9,10)(H,11,12).
What are the key properties of 5-(2-carboxyphenyl)pyridine-3-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylic acid;pyrazine-2,5-dicarboxylic acid;pyridine-2,5-dicarboxylic acid?
5-(2-carboxyphenyl)pyridine-3-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylic acid;pyrazine-2,5-dicarboxylic acid;pyridine-2,5-dicarboxylic acid has a molecular weight of 1066.86 g/mol, XLogP of 5.58, 13 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-carboxyphenyl)pyridine-3-carboxylic acid;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylic acid;pyrazine-2,5-dicarboxylic acid;pyridine-2,5-dicarboxylic acid is sourced from PubChem (CID 159208110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).