N-hydroxy-5-methoxypyrimidine-2-carboximidoyl chloride

C6H6ClN3O2 — CID 140846091

IUPACN-hydroxy-5-methoxypyrimidine-2-carboximidoyl chloride
SMILESCOc1cnc(C(Cl)=NO)nc1
InChIInChI=1S/C6H6ClN3O2/c1-12-4-2-8-6(9-3-4)5(7)10-11/h2-3,11H,1H3
InChIKeyPRZWVELKOBOMTK-UHFFFAOYSA-N
MW187.59 g/mol
LogP0.86
Rot. Bonds2

About N-hydroxy-5-methoxypyrimidine-2-carboximidoyl chloride

N-hydroxy-5-methoxypyrimidine-2-carboximidoyl chloride (PubChem CID 140846091) has the molecular formula C6H6ClN3O2 and a molecular weight of 187.59 g/mol. Its IUPAC name is N-hydroxy-5-methoxypyrimidine-2-carboximidoyl chloride.

Molecular Properties

Compound NameN-hydroxy-5-methoxypyrimidine-2-carboximidoyl chloride
PubChem CID140846091
Molecular FormulaC6H6ClN3O2
Molecular Weight187.59 g/mol
Exact Mass187.01
IUPAC NameN-hydroxy-5-methoxypyrimidine-2-carboximidoyl chloride
SMILESCOc1cnc(C(Cl)=NO)nc1
InChIInChI=1S/C6H6ClN3O2/c1-12-4-2-8-6(9-3-4)5(7)10-11/h2-3,11H,1H3
InChIKeyPRZWVELKOBOMTK-UHFFFAOYSA-N
XLogP0.86
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.59
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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 N-hydroxy-5-methoxypyrimidine-2-carboximidoyl chloride?
The IUPAC name of N-hydroxy-5-methoxypyrimidine-2-carboximidoyl chloride (CID 140846091) is N-hydroxy-5-methoxypyrimidine-2-carboximidoyl chloride.
What is the SMILES notation for N-hydroxy-5-methoxypyrimidine-2-carboximidoyl chloride?
The canonical SMILES for N-hydroxy-5-methoxypyrimidine-2-carboximidoyl chloride is COc1cnc(C(Cl)=NO)nc1.
What is the InChIKey of N-hydroxy-5-methoxypyrimidine-2-carboximidoyl chloride?
The InChIKey is PRZWVELKOBOMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O2/c1-12-4-2-8-6(9-3-4)5(7)10-11/h2-3,11H,1H3.
What are the key properties of N-hydroxy-5-methoxypyrimidine-2-carboximidoyl chloride?
N-hydroxy-5-methoxypyrimidine-2-carboximidoyl chloride has a molecular weight of 187.59 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-methoxypyrimidine-2-carboximidoyl chloride is sourced from PubChem (CID 140846091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).