4-(5-cyano-6-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutanoic acid

C10H10N2O5 — CID 171877672

IUPAC4-(5-cyano-6-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutanoic acid
SMILESN#Cc1cc(C(O)C(O)CC(=O)O)c[nH]c1=O
InChIInChI=1S/C10H10N2O5/c11-3-5-1-6(4-12-10(5)17)9(16)7(13)2-8(14)15/h1,4,7,9,13,16H,2H2,(H,12,17)(H,14,15)
InChIKeyAOUSRPLPHNAZFT-UHFFFAOYSA-N
MW238.20 g/mol
LogP-0.88
Rot. Bonds4

About 4-(5-cyano-6-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutanoic acid

4-(5-cyano-6-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutanoic acid (PubChem CID 171877672) has the molecular formula C10H10N2O5 and a molecular weight of 238.20 g/mol. Its IUPAC name is 4-(5-cyano-6-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutanoic acid.

Molecular Properties

Compound Name4-(5-cyano-6-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutanoic acid
PubChem CID171877672
Molecular FormulaC10H10N2O5
Molecular Weight238.20 g/mol
Exact Mass238.06
IUPAC Name4-(5-cyano-6-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutanoic acid
SMILESN#Cc1cc(C(O)C(O)CC(=O)O)c[nH]c1=O
InChIInChI=1S/C10H10N2O5/c11-3-5-1-6(4-12-10(5)17)9(16)7(13)2-8(14)15/h1,4,7,9,13,16H,2H2,(H,12,17)(H,14,15)
InChIKeyAOUSRPLPHNAZFT-UHFFFAOYSA-N
XLogP-0.88
TPSA134.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(5-cyano-6-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutyl]acetamide
CID 171883046
3-(5-cyano-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanamide
CID 171868161
4-(4-cyano-3-hydroxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877807
4-(4-cyano-3,5-difluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878096
3,4-dihydroxy-4-[5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]butanoic acid
CID 171878370
4-(2-cyano-4,5-difluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878097
3,4-dihydroxy-4-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanenitrile
CID 171901660
4-(5-amino-2-cyanophenyl)-3,4-dihydroxybutanoic acid
CID 171877657
4-[2-cyano-5-(trifluoromethyl)phenyl]-3,4-dihydroxybutanoic acid
CID 171878585
4-(5-chloro-2-cyanophenyl)-3,4-dihydroxybutanoic acid
CID 171877710
4-(4-chloro-2-cyanophenyl)-3,4-dihydroxybutanoic acid
CID 171877711
3,4-dihydroxy-4-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl)butanoic acid
CID 171877919

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-6-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutanoic acid?
The IUPAC name of 4-(5-cyano-6-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutanoic acid (CID 171877672) is 4-(5-cyano-6-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutanoic acid.
What is the SMILES notation for 4-(5-cyano-6-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutanoic acid?
The canonical SMILES for 4-(5-cyano-6-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutanoic acid is N#Cc1cc(C(O)C(O)CC(=O)O)c[nH]c1=O.
What is the InChIKey of 4-(5-cyano-6-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutanoic acid?
The InChIKey is AOUSRPLPHNAZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5/c11-3-5-1-6(4-12-10(5)17)9(16)7(13)2-8(14)15/h1,4,7,9,13,16H,2H2,(H,12,17)(H,14,15).
What are the key properties of 4-(5-cyano-6-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutanoic acid?
4-(5-cyano-6-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutanoic acid has a molecular weight of 238.20 g/mol, XLogP of -0.88, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-6-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutanoic acid is sourced from PubChem (CID 171877672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).