chromium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid

C5H4CrN2O4 — CID 87870944

IUPACchromium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(=O)[nH]1.[Cr]
InChIInChI=1S/C5H4N2O4.Cr/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);
InChIKeyYRGBQKUSFRKCCN-UHFFFAOYSA-N
MW208.09 g/mol
LogP-1.24
Rot. Bonds1

About chromium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid

chromium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 87870944) has the molecular formula C5H4CrN2O4 and a molecular weight of 208.09 g/mol. Its IUPAC name is chromium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Namechromium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID87870944
Molecular FormulaC5H4CrN2O4
Molecular Weight208.09 g/mol
Exact Mass207.96
IUPAC Namechromium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(=O)[nH]1.[Cr]
InChIInChI=1S/C5H4N2O4.Cr/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);
InChIKeyYRGBQKUSFRKCCN-UHFFFAOYSA-N
XLogP-1.24
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of chromium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of chromium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 87870944) is chromium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for chromium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for chromium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid is O=C(O)c1cc(=O)[nH]c(=O)[nH]1.[Cr].
What is the InChIKey of chromium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is YRGBQKUSFRKCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O4.Cr/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);.
What are the key properties of chromium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
chromium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 208.09 g/mol, XLogP of -1.24, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 87870944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).