2,3-dihydroxybutanedioic acid;pyridine-2-carboxamide

C10H12N2O7 — CID 174601902

IUPAC2,3-dihydroxybutanedioic acid;pyridine-2-carboxamide
SMILESNC(=O)c1ccccn1.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C6H6N2O.C4H6O6/c7-6(9)5-3-1-2-4-8-5;5-1(3(7)8)2(6)4(9)10/h1-4H,(H2,7,9);1-2,5-6H,(H,7,8)(H,9,10)
InChIKeySBQGKUJWOAHHAX-UHFFFAOYSA-N
MW272.21 g/mol
LogP-1.94
Rot. Bonds4

About 2,3-dihydroxybutanedioic acid;pyridine-2-carboxamide

2,3-dihydroxybutanedioic acid;pyridine-2-carboxamide (PubChem CID 174601902) has the molecular formula C10H12N2O7 and a molecular weight of 272.21 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;pyridine-2-carboxamide.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;pyridine-2-carboxamide
PubChem CID174601902
Molecular FormulaC10H12N2O7
Molecular Weight272.21 g/mol
Exact Mass272.06
IUPAC Name2,3-dihydroxybutanedioic acid;pyridine-2-carboxamide
SMILESNC(=O)c1ccccn1.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C6H6N2O.C4H6O6/c7-6(9)5-3-1-2-4-8-5;5-1(3(7)8)2(6)4(9)10/h1-4H,(H2,7,9);1-2,5-6H,(H,7,8)(H,9,10)
InChIKeySBQGKUJWOAHHAX-UHFFFAOYSA-N
XLogP-1.94
TPSA171.04 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 5-1.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

bis((2S)-2-hydroxy-2-phenylacetic acid);bis(pyridine-2-carboxamide)
CID 139198136
benzoic acid;pyridine-2-carboxamide
CID 67821051
ethane;molecular hydrogen;pyridine-2-carboxamide
CID 145071770
acetyl bromide;pyridine-2-carboxamide
CID 175817538
dioxane;pyridine-2-carboxamide
CID 174962613
2-amino-3-oxo-3-pyridin-2-ylpropanoic acid
CID 116920563
gadolinium;pyridine-2-carboxylic acid
CID 175231422
2,3-dihydroxybutanedioic acid;pyridin-2-ylmethanol
CID 70556575
pyridine-2-carboxamide;thiophen-2-amine
CID 69368078
tert-butyl carbamate;pyridine-2-carboxamide
CID 175209186
(2S,3S)-2,3-dihydroxybutanedioic acid;quinoxaline
CID 175728573
(2Z)-2-hydroxyimino-2-pyridin-2-ylacetamide
CID 140560701

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;pyridine-2-carboxamide?
The IUPAC name of 2,3-dihydroxybutanedioic acid;pyridine-2-carboxamide (CID 174601902) is 2,3-dihydroxybutanedioic acid;pyridine-2-carboxamide.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;pyridine-2-carboxamide?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;pyridine-2-carboxamide is NC(=O)c1ccccn1.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;pyridine-2-carboxamide?
The InChIKey is SBQGKUJWOAHHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O.C4H6O6/c7-6(9)5-3-1-2-4-8-5;5-1(3(7)8)2(6)4(9)10/h1-4H,(H2,7,9);1-2,5-6H,(H,7,8)(H,9,10).
What are the key properties of 2,3-dihydroxybutanedioic acid;pyridine-2-carboxamide?
2,3-dihydroxybutanedioic acid;pyridine-2-carboxamide has a molecular weight of 272.21 g/mol, XLogP of -1.94, 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;pyridine-2-carboxamide is sourced from PubChem (CID 174601902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).