5-cyanopyrimidine-2-carboxylic acid

C6H3N3O2 — CID 67608930

IUPAC5-cyanopyrimidine-2-carboxylic acid
SMILESN#Cc1cnc(C(=O)O)nc1
InChIInChI=1S/C6H3N3O2/c7-1-4-2-8-5(6(10)11)9-3-4/h2-3H,(H,10,11)
InChIKeyVEPZLCHNICQZEA-UHFFFAOYSA-N
MW149.11 g/mol
LogP0.05
Rot. Bonds1

About 5-cyanopyrimidine-2-carboxylic acid

5-cyanopyrimidine-2-carboxylic acid (PubChem CID 67608930) has the molecular formula C6H3N3O2 and a molecular weight of 149.11 g/mol. Its IUPAC name is 5-cyanopyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-cyanopyrimidine-2-carboxylic acid
PubChem CID67608930
Molecular FormulaC6H3N3O2
Molecular Weight149.11 g/mol
Exact Mass149.02
IUPAC Name5-cyanopyrimidine-2-carboxylic acid
SMILESN#Cc1cnc(C(=O)O)nc1
InChIInChI=1S/C6H3N3O2/c7-1-4-2-8-5(6(10)11)9-3-4/h2-3H,(H,10,11)
InChIKeyVEPZLCHNICQZEA-UHFFFAOYSA-N
XLogP0.05
TPSA86.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyanopyrimidine-2-carboxylic acid?
The IUPAC name of 5-cyanopyrimidine-2-carboxylic acid (CID 67608930) is 5-cyanopyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-cyanopyrimidine-2-carboxylic acid?
The canonical SMILES for 5-cyanopyrimidine-2-carboxylic acid is N#Cc1cnc(C(=O)O)nc1.
What is the InChIKey of 5-cyanopyrimidine-2-carboxylic acid?
The InChIKey is VEPZLCHNICQZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O2/c7-1-4-2-8-5(6(10)11)9-3-4/h2-3H,(H,10,11).
What are the key properties of 5-cyanopyrimidine-2-carboxylic acid?
5-cyanopyrimidine-2-carboxylic acid has a molecular weight of 149.11 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyanopyrimidine-2-carboxylic acid is sourced from PubChem (CID 67608930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).