3,6-dipyridin-2-ylpyrazine-2,5-dicarboxylic acid

C16H10N4O4 — CID 123255486

IUPAC3,6-dipyridin-2-ylpyrazine-2,5-dicarboxylic acid
SMILESO=C(O)c1nc(-c2ccccn2)c(C(=O)O)nc1-c1ccccn1
InChIInChI=1S/C16H10N4O4/c21-15(22)13-11(9-5-1-3-7-17-9)19-14(16(23)24)12(20-13)10-6-2-4-8-18-10/h1-8H,(H,21,22)(H,23,24)
InChIKeyMIBXJKARHWWQPK-UHFFFAOYSA-N
MW322.28 g/mol
LogP2.00
Rot. Bonds4

About 3,6-dipyridin-2-ylpyrazine-2,5-dicarboxylic acid

3,6-dipyridin-2-ylpyrazine-2,5-dicarboxylic acid (PubChem CID 123255486) has the molecular formula C16H10N4O4 and a molecular weight of 322.28 g/mol. Its IUPAC name is 3,6-dipyridin-2-ylpyrazine-2,5-dicarboxylic acid.

Molecular Properties

Compound Name3,6-dipyridin-2-ylpyrazine-2,5-dicarboxylic acid
PubChem CID123255486
Molecular FormulaC16H10N4O4
Molecular Weight322.28 g/mol
Exact Mass322.07
IUPAC Name3,6-dipyridin-2-ylpyrazine-2,5-dicarboxylic acid
SMILESO=C(O)c1nc(-c2ccccn2)c(C(=O)O)nc1-c1ccccn1
InChIInChI=1S/C16H10N4O4/c21-15(22)13-11(9-5-1-3-7-17-9)19-14(16(23)24)12(20-13)10-6-2-4-8-18-10/h1-8H,(H,21,22)(H,23,24)
InChIKeyMIBXJKARHWWQPK-UHFFFAOYSA-N
XLogP2.00
TPSA126.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Chromium picolinate monohydrate
CID 22833491
3-Carboxy-5-(2-pyridinio)-6-(2-pyridyl)pyrazine-2-carboxylate
CID 397377
3-(Piperidin-1-yl)picolinic acid
CID 18525731
1-(2-fluorophenyl)-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxylic acid
CID 53193002
1,7-Naphthyridine-8-carboxylic acid
CID 67127957
1-(3-fluorophenyl)-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxylic acid
CID 53193004
1-(3,4-difluorophenyl)-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxylic acid
CID 53193009
1-(3,5-difluorophenyl)-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxylic acid
CID 53193010
1-(4-ethylphenyl)-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxylic acid
CID 53331239
1-(2-ethylphenyl)-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxylic acid
CID 53366325
tris(picolinato)manganese(II)
CID 163710
3-Phenyl-2-pyrazinecarboxylic acid
CID 1512655

Frequently Asked Questions

What is the IUPAC name of 3,6-dipyridin-2-ylpyrazine-2,5-dicarboxylic acid?
The IUPAC name of 3,6-dipyridin-2-ylpyrazine-2,5-dicarboxylic acid (CID 123255486) is 3,6-dipyridin-2-ylpyrazine-2,5-dicarboxylic acid.
What is the SMILES notation for 3,6-dipyridin-2-ylpyrazine-2,5-dicarboxylic acid?
The canonical SMILES for 3,6-dipyridin-2-ylpyrazine-2,5-dicarboxylic acid is O=C(O)c1nc(-c2ccccn2)c(C(=O)O)nc1-c1ccccn1.
What is the InChIKey of 3,6-dipyridin-2-ylpyrazine-2,5-dicarboxylic acid?
The InChIKey is MIBXJKARHWWQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O4/c21-15(22)13-11(9-5-1-3-7-17-9)19-14(16(23)24)12(20-13)10-6-2-4-8-18-10/h1-8H,(H,21,22)(H,23,24).
What are the key properties of 3,6-dipyridin-2-ylpyrazine-2,5-dicarboxylic acid?
3,6-dipyridin-2-ylpyrazine-2,5-dicarboxylic acid has a molecular weight of 322.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dipyridin-2-ylpyrazine-2,5-dicarboxylic acid is sourced from PubChem (CID 123255486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).