2-hydroxypropanedioic acid;1H-pyridin-2-one

C8H9NO6 — CID 71407097

IUPAC2-hydroxypropanedioic acid;1H-pyridin-2-one
SMILESO=C(O)C(O)C(=O)O.O=c1cccc[nH]1
InChIInChI=1S/C5H5NO.C3H4O5/c7-5-3-1-2-4-6-5;4-1(2(5)6)3(7)8/h1-4H,(H,6,7);1,4H,(H,5,6)(H,7,8)
InChIKeyXEHKLUYSIDCOMK-UHFFFAOYSA-N
MW215.16 g/mol
LogP-1.11
Rot. Bonds2

About 2-hydroxypropanedioic acid;1H-pyridin-2-one

2-hydroxypropanedioic acid;1H-pyridin-2-one (PubChem CID 71407097) has the molecular formula C8H9NO6 and a molecular weight of 215.16 g/mol. Its IUPAC name is 2-hydroxypropanedioic acid;1H-pyridin-2-one.

Molecular Properties

Compound Name2-hydroxypropanedioic acid;1H-pyridin-2-one
PubChem CID71407097
Molecular FormulaC8H9NO6
Molecular Weight215.16 g/mol
Exact Mass215.04
IUPAC Name2-hydroxypropanedioic acid;1H-pyridin-2-one
SMILESO=C(O)C(O)C(=O)O.O=c1cccc[nH]1
InChIInChI=1S/C5H5NO.C3H4O5/c7-5-3-1-2-4-6-5;4-1(2(5)6)3(7)8/h1-4H,(H,6,7);1,4H,(H,5,6)(H,7,8)
InChIKeyXEHKLUYSIDCOMK-UHFFFAOYSA-N
XLogP-1.11
TPSA127.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(213C)1H-pyridin-2-one
CID 12998482
1H-pyridin-2-one
CID 157260165
(211C)1H-pyridin-2-one
CID 11788262
hydron;1H-pyridin-2-one
CID 131852568
1H-pyridin-2-one;titanium;hydrate
CID 87617254
ethanol;bis(1H-pyridin-2-one)
CID 174827377
2-aminobenzamide;1H-pyridin-2-one
CID 68828870
ethane;pyrazine;1H-pyridin-2-one
CID 145202004
hexane;1H-pyridin-2-one
CID 175013137
N-ethyl-N-propan-2-ylpropan-2-amine;1H-pyridin-2-one
CID 68518788
6-chloro-1H-pyridin-2-one;1H-pyridin-2-one
CID 87792012
1-methylpyrrolidine;1H-pyridin-2-one
CID 143796889

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanedioic acid;1H-pyridin-2-one?
The IUPAC name of 2-hydroxypropanedioic acid;1H-pyridin-2-one (CID 71407097) is 2-hydroxypropanedioic acid;1H-pyridin-2-one.
What is the SMILES notation for 2-hydroxypropanedioic acid;1H-pyridin-2-one?
The canonical SMILES for 2-hydroxypropanedioic acid;1H-pyridin-2-one is O=C(O)C(O)C(=O)O.O=c1cccc[nH]1.
What is the InChIKey of 2-hydroxypropanedioic acid;1H-pyridin-2-one?
The InChIKey is XEHKLUYSIDCOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO.C3H4O5/c7-5-3-1-2-4-6-5;4-1(2(5)6)3(7)8/h1-4H,(H,6,7);1,4H,(H,5,6)(H,7,8).
What are the key properties of 2-hydroxypropanedioic acid;1H-pyridin-2-one?
2-hydroxypropanedioic acid;1H-pyridin-2-one has a molecular weight of 215.16 g/mol, XLogP of -1.11, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanedioic acid;1H-pyridin-2-one is sourced from PubChem (CID 71407097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).