2,3-dihydroxy-3-(6-methylpyrazin-2-yl)propanoic acid

C8H10N2O4 — CID 170823436

IUPAC2,3-dihydroxy-3-(6-methylpyrazin-2-yl)propanoic acid
SMILESCc1cncc(C(O)C(O)C(=O)O)n1
InChIInChI=1S/C8H10N2O4/c1-4-2-9-3-5(10-4)6(11)7(12)8(13)14/h2-3,6-7,11-12H,1H3,(H,13,14)
InChIKeyAGUJQHQRNCXLDI-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.74
Rot. Bonds3

About 2,3-dihydroxy-3-(6-methylpyrazin-2-yl)propanoic acid

2,3-dihydroxy-3-(6-methylpyrazin-2-yl)propanoic acid (PubChem CID 170823436) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(6-methylpyrazin-2-yl)propanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-3-(6-methylpyrazin-2-yl)propanoic acid
PubChem CID170823436
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2,3-dihydroxy-3-(6-methylpyrazin-2-yl)propanoic acid
SMILESCc1cncc(C(O)C(O)C(=O)O)n1
InChIInChI=1S/C8H10N2O4/c1-4-2-9-3-5(10-4)6(11)7(12)8(13)14/h2-3,6-7,11-12H,1H3,(H,13,14)
InChIKeyAGUJQHQRNCXLDI-UHFFFAOYSA-N
XLogP-0.74
TPSA103.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-chloropyrazin-2-yl)-2,3-dihydroxypropanoic acid
CID 76696734
3,4-dihydroxy-4-(6-methylpyrazin-2-yl)butanamide
CID 171898628
2,3-dihydroxy-3-(4-methyl-2-pyridinyl)propanoic acid
CID 170823470
2,3-dihydroxy-3-(4-methylpyrimidin-2-yl)propanoic acid
CID 170823438
2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid
CID 170823469
2,6-dimethylpyrazine;ethane
CID 54569544
2-(6-methylpyrazin-2-yl)acetic acid
CID 82594952
2,3-dihydroxy-3-(6-methoxy-2-methyl-3-pyridinyl)propanoic acid
CID 170824081
3-(6-chloro-4-methyl-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823685
3-(5-formyl-2-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823749
2,3-dihydroxybutanedioic acid;2-ethyl-6-methylpyridin-3-ol
CID 17371099
3-(2,4-dichloropyrimidin-5-yl)-2,3-dihydroxypropanoic acid
CID 170823653

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(6-methylpyrazin-2-yl)propanoic acid?
The IUPAC name of 2,3-dihydroxy-3-(6-methylpyrazin-2-yl)propanoic acid (CID 170823436) is 2,3-dihydroxy-3-(6-methylpyrazin-2-yl)propanoic acid.
What is the SMILES notation for 2,3-dihydroxy-3-(6-methylpyrazin-2-yl)propanoic acid?
The canonical SMILES for 2,3-dihydroxy-3-(6-methylpyrazin-2-yl)propanoic acid is Cc1cncc(C(O)C(O)C(=O)O)n1.
What is the InChIKey of 2,3-dihydroxy-3-(6-methylpyrazin-2-yl)propanoic acid?
The InChIKey is AGUJQHQRNCXLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-4-2-9-3-5(10-4)6(11)7(12)8(13)14/h2-3,6-7,11-12H,1H3,(H,13,14).
What are the key properties of 2,3-dihydroxy-3-(6-methylpyrazin-2-yl)propanoic acid?
2,3-dihydroxy-3-(6-methylpyrazin-2-yl)propanoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(6-methylpyrazin-2-yl)propanoic acid is sourced from PubChem (CID 170823436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).