2,3-dihydroxybutanedioic acid;pyridin-2-ylmethanol

C10H13NO7 — CID 70556575

IUPAC2,3-dihydroxybutanedioic acid;pyridin-2-ylmethanol
SMILESO=C(O)C(O)C(O)C(=O)O.OCc1ccccn1
InChIInChI=1S/C6H7NO.C4H6O6/c8-5-6-3-1-2-4-7-6;5-1(3(7)8)2(6)4(9)10/h1-4,8H,5H2;1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyVNKYOUJKVDKEIK-UHFFFAOYSA-N
MW259.21 g/mol
LogP-1.55
Rot. Bonds4

About 2,3-dihydroxybutanedioic acid;pyridin-2-ylmethanol

2,3-dihydroxybutanedioic acid;pyridin-2-ylmethanol (PubChem CID 70556575) has the molecular formula C10H13NO7 and a molecular weight of 259.21 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;pyridin-2-ylmethanol.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;pyridin-2-ylmethanol
PubChem CID70556575
Molecular FormulaC10H13NO7
Molecular Weight259.21 g/mol
Exact Mass259.07
IUPAC Name2,3-dihydroxybutanedioic acid;pyridin-2-ylmethanol
SMILESO=C(O)C(O)C(O)C(=O)O.OCc1ccccn1
InChIInChI=1S/C6H7NO.C4H6O6/c8-5-6-3-1-2-4-7-6;5-1(3(7)8)2(6)4(9)10/h1-4,8H,5H2;1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyVNKYOUJKVDKEIK-UHFFFAOYSA-N
XLogP-1.55
TPSA148.18 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 5-1.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

pyridin-2-ylmethanol;vanadium
CID 176962038
ethane;pyridin-2-ylmethanol
CID 91461493
2-hydroxy-3-pyridin-2-ylpropanoic acid chloride
CID 5351816
butanoic acid;pyridin-2-ylmethanol
CID 21117383
2,3-dihydroxybutanedioic acid;pyridine-2-carboxamide
CID 174601902
4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid
CID 54563679
(2S,3S)-2,3-dihydroxybutanedioic acid;quinoxaline
CID 175728573
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
CID 131857449
CID 131857449
2-hydroxy-7-pyridin-2-ylheptanoic acid
CID 175122940
(2S)-2-nitroso-3-pyridin-2-ylpropanoic acid
CID 88932015
acetic acid;2-ethylpyridine
CID 70072313

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;pyridin-2-ylmethanol?
The IUPAC name of 2,3-dihydroxybutanedioic acid;pyridin-2-ylmethanol (CID 70556575) is 2,3-dihydroxybutanedioic acid;pyridin-2-ylmethanol.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;pyridin-2-ylmethanol?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;pyridin-2-ylmethanol is O=C(O)C(O)C(O)C(=O)O.OCc1ccccn1.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;pyridin-2-ylmethanol?
The InChIKey is VNKYOUJKVDKEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.C4H6O6/c8-5-6-3-1-2-4-7-6;5-1(3(7)8)2(6)4(9)10/h1-4,8H,5H2;1-2,5-6H,(H,7,8)(H,9,10).
What are the key properties of 2,3-dihydroxybutanedioic acid;pyridin-2-ylmethanol?
2,3-dihydroxybutanedioic acid;pyridin-2-ylmethanol has a molecular weight of 259.21 g/mol, XLogP of -1.55, 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;pyridin-2-ylmethanol is sourced from PubChem (CID 70556575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).