5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidine-2-carboxylic acid

C7H6N2O6 — CID 135446348

IUPAC5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidine-2-carboxylic acid
SMILESCOC(=O)c1nc(C(=O)O)[nH]c(=O)c1O
InChIInChI=1S/C7H6N2O6/c1-15-7(14)2-3(10)5(11)9-4(8-2)6(12)13/h10H,1H3,(H,12,13)(H,8,9,11)
InChIKeyVWGOJNFHYLXMAC-UHFFFAOYSA-N
MW214.13 g/mol
LogP-1.04
Rot. Bonds2

About 5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidine-2-carboxylic acid

5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidine-2-carboxylic acid (PubChem CID 135446348) has the molecular formula C7H6N2O6 and a molecular weight of 214.13 g/mol. Its IUPAC name is 5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidine-2-carboxylic acid
PubChem CID135446348
Molecular FormulaC7H6N2O6
Molecular Weight214.13 g/mol
Exact Mass214.02
IUPAC Name5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidine-2-carboxylic acid
SMILESCOC(=O)c1nc(C(=O)O)[nH]c(=O)c1O
InChIInChI=1S/C7H6N2O6/c1-15-7(14)2-3(10)5(11)9-4(8-2)6(12)13/h10H,1H3,(H,12,13)(H,8,9,11)
InChIKeyVWGOJNFHYLXMAC-UHFFFAOYSA-N
XLogP-1.04
TPSA129.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.13
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidine-2-carboxylic acid?
The IUPAC name of 5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidine-2-carboxylic acid (CID 135446348) is 5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidine-2-carboxylic acid is COC(=O)c1nc(C(=O)O)[nH]c(=O)c1O.
What is the InChIKey of 5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidine-2-carboxylic acid?
The InChIKey is VWGOJNFHYLXMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O6/c1-15-7(14)2-3(10)5(11)9-4(8-2)6(12)13/h10H,1H3,(H,12,13)(H,8,9,11).
What are the key properties of 5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidine-2-carboxylic acid?
5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidine-2-carboxylic acid has a molecular weight of 214.13 g/mol, XLogP of -1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidine-2-carboxylic acid is sourced from PubChem (CID 135446348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).