2,3-dihydroxybutanedioic acid;dipyridin-4-ylmethanone

C15H14N2O7 — CID 162307766

IUPAC2,3-dihydroxybutanedioic acid;dipyridin-4-ylmethanone
SMILESO=C(O)C(O)C(O)C(=O)O.O=C(c1ccncc1)c1ccncc1
InChIInChI=1S/C11H8N2O.C4H6O6/c14-11(9-1-5-12-6-2-9)10-3-7-13-8-4-10;5-1(3(7)8)2(6)4(9)10/h1-8H;1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyXMTFTMRCZZWCEQ-UHFFFAOYSA-N
MW334.28 g/mol
LogP-0.41
Rot. Bonds5

About 2,3-dihydroxybutanedioic acid;dipyridin-4-ylmethanone

2,3-dihydroxybutanedioic acid;dipyridin-4-ylmethanone (PubChem CID 162307766) has the molecular formula C15H14N2O7 and a molecular weight of 334.28 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;dipyridin-4-ylmethanone.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;dipyridin-4-ylmethanone
PubChem CID162307766
Molecular FormulaC15H14N2O7
Molecular Weight334.28 g/mol
Exact Mass334.08
IUPAC Name2,3-dihydroxybutanedioic acid;dipyridin-4-ylmethanone
SMILESO=C(O)C(O)C(O)C(=O)O.O=C(c1ccncc1)c1ccncc1
InChIInChI=1S/C11H8N2O.C4H6O6/c14-11(9-1-5-12-6-2-9)10-3-7-13-8-4-10;5-1(3(7)8)2(6)4(9)10/h1-8H;1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyXMTFTMRCZZWCEQ-UHFFFAOYSA-N
XLogP-0.41
TPSA157.91 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2,3-dihydroxybutanedioic acid;dipyridin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-dihydroxybutanedioic acid;pyrazine
CID 139195766
(2R,3R)-2,3-dihydroxybutanedioic acid;pyrazine
CID 139195765
tris(phenyl(pyridin-4-yl)methanone);trichlororuthenium
CID 4004269
3-(pyridine-4-carbonyl)benzoic acid
CID 82115219
(3,5-dibromophenyl)-pyridin-4-ylmethanone
CID 19711365
phenyl(pyridin-4-yl)methanone;pyridine-4-carbonitrile
CID 67912656
[3-amino-4-(pyridine-4-carbonyl)phenyl]-pyridin-4-ylmethanone
CID 176900459
(4-fluoro-3-methylphenyl)-pyridin-4-ylmethanone
CID 62789749
4-(pyridine-4-carbonyl)benzenesulfonamide
CID 23274879
2-(pyridine-4-carbonyl)butanoic acid
CID 53419303
(2S,3S)-2,3-dihydroxybutanedioic acid;quinoxaline
CID 175728573
(2S,3S,4S,5S,6Z)-2,3,4,5-tetrahydroxy-6-(pyridine-4-carbonylhydrazinylidene)hexanoic acid
CID 51404023

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;dipyridin-4-ylmethanone?
The IUPAC name of 2,3-dihydroxybutanedioic acid;dipyridin-4-ylmethanone (CID 162307766) is 2,3-dihydroxybutanedioic acid;dipyridin-4-ylmethanone.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;dipyridin-4-ylmethanone?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;dipyridin-4-ylmethanone is O=C(O)C(O)C(O)C(=O)O.O=C(c1ccncc1)c1ccncc1.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;dipyridin-4-ylmethanone?
The InChIKey is XMTFTMRCZZWCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O.C4H6O6/c14-11(9-1-5-12-6-2-9)10-3-7-13-8-4-10;5-1(3(7)8)2(6)4(9)10/h1-8H;1-2,5-6H,(H,7,8)(H,9,10).
What are the key properties of 2,3-dihydroxybutanedioic acid;dipyridin-4-ylmethanone?
2,3-dihydroxybutanedioic acid;dipyridin-4-ylmethanone has a molecular weight of 334.28 g/mol, XLogP of -0.41, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;dipyridin-4-ylmethanone is sourced from PubChem (CID 162307766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).