propanedioic acid;pyridin-3-ol

C8H9NO5 — CID 73057441

IUPACpropanedioic acid;pyridin-3-ol
SMILESO=C(O)CC(=O)O.Oc1cccnc1
InChIInChI=1S/C5H5NO.C3H4O4/c7-5-2-1-3-6-4-5;4-2(5)1-3(6)7/h1-4,7H;1H2,(H,4,5)(H,6,7)
InChIKeyLQUPGMXVVZSYIV-UHFFFAOYSA-N
MW199.16 g/mol
LogP0.33
Rot. Bonds2

About propanedioic acid;pyridin-3-ol

propanedioic acid;pyridin-3-ol (PubChem CID 73057441) has the molecular formula C8H9NO5 and a molecular weight of 199.16 g/mol. Its IUPAC name is propanedioic acid;pyridin-3-ol.

Molecular Properties

Compound Namepropanedioic acid;pyridin-3-ol
PubChem CID73057441
Molecular FormulaC8H9NO5
Molecular Weight199.16 g/mol
Exact Mass199.05
IUPAC Namepropanedioic acid;pyridin-3-ol
SMILESO=C(O)CC(=O)O.Oc1cccnc1
InChIInChI=1S/C5H5NO.C3H4O4/c7-5-2-1-3-6-4-5;4-2(5)1-3(6)7/h1-4,7H;1H2,(H,4,5)(H,6,7)
InChIKeyLQUPGMXVVZSYIV-UHFFFAOYSA-N
XLogP0.33
TPSA107.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pyridin-3-ol;titanium(3+);trichloride
CID 19362153
pyridin-3-ol;2H-triazole
CID 175435017
pyridin-3-ol;sulfuric acid
CID 126483658
propanedioic acid;bis(pyridine)
CID 173188950
CID 66868100
CID 66868100
ethane;pyridin-3-ol;1H-pyridin-4-one
CID 159083405
3-oxo-3-(4-pyridin-3-ylphenyl)propanoic acid
CID 170887253
(E)-3-pyridin-3-ylpent-2-enedioic acid
CID 67454116
(Z)-3-pyridin-3-ylpent-2-enedioic acid
CID 67454114
3-deuteriooxypyridine
CID 138396031
4-pyridin-3-ylbut-3-enoic acid
CID 439
(pyridin-3-ylmethylamino)carbamic acid
CID 154450692

Frequently Asked Questions

What is the IUPAC name of propanedioic acid;pyridin-3-ol?
The IUPAC name of propanedioic acid;pyridin-3-ol (CID 73057441) is propanedioic acid;pyridin-3-ol.
What is the SMILES notation for propanedioic acid;pyridin-3-ol?
The canonical SMILES for propanedioic acid;pyridin-3-ol is O=C(O)CC(=O)O.Oc1cccnc1.
What is the InChIKey of propanedioic acid;pyridin-3-ol?
The InChIKey is LQUPGMXVVZSYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO.C3H4O4/c7-5-2-1-3-6-4-5;4-2(5)1-3(6)7/h1-4,7H;1H2,(H,4,5)(H,6,7).
What are the key properties of propanedioic acid;pyridin-3-ol?
propanedioic acid;pyridin-3-ol has a molecular weight of 199.16 g/mol, XLogP of 0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propanedioic acid;pyridin-3-ol is sourced from PubChem (CID 73057441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).