2-(2-hydroxyiminopyrimidin-1-yl)acetic acid

C6H7N3O3 — CID 91511800

IUPAC2-(2-hydroxyiminopyrimidin-1-yl)acetic acid
SMILESO=C(O)Cn1cccnc1=NO
InChIInChI=1S/C6H7N3O3/c10-5(11)4-9-3-1-2-7-6(9)8-12/h1-3,12H,4H2,(H,10,11)
InChIKeyCZQXWSCMIMQFCG-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.74
Rot. Bonds2

About 2-(2-hydroxyiminopyrimidin-1-yl)acetic acid

2-(2-hydroxyiminopyrimidin-1-yl)acetic acid (PubChem CID 91511800) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 2-(2-hydroxyiminopyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-hydroxyiminopyrimidin-1-yl)acetic acid
PubChem CID91511800
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name2-(2-hydroxyiminopyrimidin-1-yl)acetic acid
SMILESO=C(O)Cn1cccnc1=NO
InChIInChI=1S/C6H7N3O3/c10-5(11)4-9-3-1-2-7-6(9)8-12/h1-3,12H,4H2,(H,10,11)
InChIKeyCZQXWSCMIMQFCG-UHFFFAOYSA-N
XLogP-0.74
TPSA87.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyiminopyrimidin-1-yl)acetic acid?
The IUPAC name of 2-(2-hydroxyiminopyrimidin-1-yl)acetic acid (CID 91511800) is 2-(2-hydroxyiminopyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2-hydroxyiminopyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-(2-hydroxyiminopyrimidin-1-yl)acetic acid is O=C(O)Cn1cccnc1=NO.
What is the InChIKey of 2-(2-hydroxyiminopyrimidin-1-yl)acetic acid?
The InChIKey is CZQXWSCMIMQFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c10-5(11)4-9-3-1-2-7-6(9)8-12/h1-3,12H,4H2,(H,10,11).
What are the key properties of 2-(2-hydroxyiminopyrimidin-1-yl)acetic acid?
2-(2-hydroxyiminopyrimidin-1-yl)acetic acid has a molecular weight of 169.14 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyiminopyrimidin-1-yl)acetic acid is sourced from PubChem (CID 91511800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).