2,3-dihydroxybutanedioic acid;2-ethyl-6-methylpyridin-3-ol

C12H17NO7 — CID 17371099

IUPAC2,3-dihydroxybutanedioic acid;2-ethyl-6-methylpyridin-3-ol
SMILESCCc1nc(C)ccc1O.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C8H11NO.C4H6O6/c1-3-7-8(10)5-4-6(2)9-7;5-1(3(7)8)2(6)4(9)10/h4-5,10H,3H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyLLYGYNICTYXZOX-UHFFFAOYSA-N
MW287.27 g/mol
LogP-0.46
Rot. Bonds4

About 2,3-dihydroxybutanedioic acid;2-ethyl-6-methylpyridin-3-ol

2,3-dihydroxybutanedioic acid;2-ethyl-6-methylpyridin-3-ol (PubChem CID 17371099) has the molecular formula C12H17NO7 and a molecular weight of 287.27 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;2-ethyl-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;2-ethyl-6-methylpyridin-3-ol
PubChem CID17371099
Molecular FormulaC12H17NO7
Molecular Weight287.27 g/mol
Exact Mass287.10
IUPAC Name2,3-dihydroxybutanedioic acid;2-ethyl-6-methylpyridin-3-ol
SMILESCCc1nc(C)ccc1O.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C8H11NO.C4H6O6/c1-3-7-8(10)5-4-6(2)9-7;5-1(3(7)8)2(6)4(9)10/h4-5,10H,3H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyLLYGYNICTYXZOX-UHFFFAOYSA-N
XLogP-0.46
TPSA148.18 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-6-methylpyridin-3-ol;2-hydroxybenzoic acid
CID 6611293
2-ethyl-6-methylpyridin-3-ol;2-nitrobutanedioic acid
CID 73057736
2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid
CID 79156630
3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid
CID 79158335
2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]propanoic acid
CID 79158647
3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propanoic acid
CID 79163527
2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 78928633
6-methyl-2-[(methylideneamino)methyl]pyridin-3-ol
CID 143063225
3-(3-hydroxy-6-methyl-2-pyridinyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 103717212
6-methyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-3-ol
CID 82977420
2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]-6-methylpyridin-3-ol
CID 103924307
2-[(3-ethylpentan-2-ylamino)methyl]-6-methylpyridin-3-ol
CID 78952615

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;2-ethyl-6-methylpyridin-3-ol?
The IUPAC name of 2,3-dihydroxybutanedioic acid;2-ethyl-6-methylpyridin-3-ol (CID 17371099) is 2,3-dihydroxybutanedioic acid;2-ethyl-6-methylpyridin-3-ol.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;2-ethyl-6-methylpyridin-3-ol?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;2-ethyl-6-methylpyridin-3-ol is CCc1nc(C)ccc1O.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;2-ethyl-6-methylpyridin-3-ol?
The InChIKey is LLYGYNICTYXZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C4H6O6/c1-3-7-8(10)5-4-6(2)9-7;5-1(3(7)8)2(6)4(9)10/h4-5,10H,3H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10).
What are the key properties of 2,3-dihydroxybutanedioic acid;2-ethyl-6-methylpyridin-3-ol?
2,3-dihydroxybutanedioic acid;2-ethyl-6-methylpyridin-3-ol has a molecular weight of 287.27 g/mol, XLogP of -0.46, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;2-ethyl-6-methylpyridin-3-ol is sourced from PubChem (CID 17371099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).