(3-carboxyoxypyrazin-2-yl) hydrogen carbonate

C6H4N2O6 — CID 66670690

IUPAC(3-carboxyoxypyrazin-2-yl) hydrogen carbonate
SMILESO=C(O)Oc1nccnc1OC(=O)O
InChIInChI=1S/C6H4N2O6/c9-5(10)13-3-4(14-6(11)12)8-2-1-7-3/h1-2H,(H,9,10)(H,11,12)
InChIKeyJIMZQLLZLDZDNE-UHFFFAOYSA-N
MW200.11 g/mol
LogP0.59
Rot. Bonds2

About (3-carboxyoxypyrazin-2-yl) hydrogen carbonate

(3-carboxyoxypyrazin-2-yl) hydrogen carbonate (PubChem CID 66670690) has the molecular formula C6H4N2O6 and a molecular weight of 200.11 g/mol. Its IUPAC name is (3-carboxyoxypyrazin-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(3-carboxyoxypyrazin-2-yl) hydrogen carbonate
PubChem CID66670690
Molecular FormulaC6H4N2O6
Molecular Weight200.11 g/mol
Exact Mass200.01
IUPAC Name(3-carboxyoxypyrazin-2-yl) hydrogen carbonate
SMILESO=C(O)Oc1nccnc1OC(=O)O
InChIInChI=1S/C6H4N2O6/c9-5(10)13-3-4(14-6(11)12)8-2-1-7-3/h1-2H,(H,9,10)(H,11,12)
InChIKeyJIMZQLLZLDZDNE-UHFFFAOYSA-N
XLogP0.59
TPSA118.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.11
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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(3-methoxy-2-pyridinyl) hydrogen carbonate;hydrochloride
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(5-methyl-1H-imidazol-4-yl) hydrogen carbonate
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[3-[(4-cyanophenyl)carbamoyl]pyrazin-2-yl] hydrogen carbonate
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(6-methoxyisoquinolin-1-yl) hydrogen carbonate
CID 70843477
3-methoxypyrazine-2-carboxylic acid
CID 22395692
[3-methyl-4-[4-(2-methylphenyl)phenyl]-2-pyridinyl] hydrogen carbonate
CID 90424346
[4-(4-benzoylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate
CID 90424397
[4-methyl-3-(oxan-4-yl)-2-pyridinyl] hydrogen carbonate
CID 122698511
(3,6-difluoro-2-pyridinyl) hydrogen carbonate
CID 122446344
(5-chloro-2-methoxypyrimidin-4-yl) hydrogen carbonate
CID 67791743
[3-[(Z)-non-3-enyl]-2-pyridinyl] hydrogen carbonate
CID 90424699

Frequently Asked Questions

What is the IUPAC name of (3-carboxyoxypyrazin-2-yl) hydrogen carbonate?
The IUPAC name of (3-carboxyoxypyrazin-2-yl) hydrogen carbonate (CID 66670690) is (3-carboxyoxypyrazin-2-yl) hydrogen carbonate.
What is the SMILES notation for (3-carboxyoxypyrazin-2-yl) hydrogen carbonate?
The canonical SMILES for (3-carboxyoxypyrazin-2-yl) hydrogen carbonate is O=C(O)Oc1nccnc1OC(=O)O.
What is the InChIKey of (3-carboxyoxypyrazin-2-yl) hydrogen carbonate?
The InChIKey is JIMZQLLZLDZDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O6/c9-5(10)13-3-4(14-6(11)12)8-2-1-7-3/h1-2H,(H,9,10)(H,11,12).
What are the key properties of (3-carboxyoxypyrazin-2-yl) hydrogen carbonate?
(3-carboxyoxypyrazin-2-yl) hydrogen carbonate has a molecular weight of 200.11 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carboxyoxypyrazin-2-yl) hydrogen carbonate is sourced from PubChem (CID 66670690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).