[1-(6-chloropyridazin-3-yl)imidazol-2-yl]-methylphosphinate

C8H7ClN4O2P- — CID 6414685

IUPAC[1-(6-chloropyridazin-3-yl)imidazol-2-yl]-methylphosphinate
SMILESCP(=O)([O-])c1nccn1-c1ccc(Cl)nn1
InChIInChI=1S/C8H8ClN4O2P/c1-16(14,15)8-10-4-5-13(8)7-3-2-6(9)11-12-7/h2-5H,1H3,(H,14,15)/p-1
InChIKeyBTCSUUOQXZEPTJ-UHFFFAOYSA-M
MW257.60 g/mol
LogP0.21
Rot. Bonds2

About [1-(6-chloropyridazin-3-yl)imidazol-2-yl]-methylphosphinate

[1-(6-chloropyridazin-3-yl)imidazol-2-yl]-methylphosphinate (PubChem CID 6414685) has the molecular formula C8H7ClN4O2P- and a molecular weight of 257.60 g/mol. Its IUPAC name is [1-(6-chloropyridazin-3-yl)imidazol-2-yl]-methylphosphinate.

Molecular Properties

Compound Name[1-(6-chloropyridazin-3-yl)imidazol-2-yl]-methylphosphinate
PubChem CID6414685
Molecular FormulaC8H7ClN4O2P-
Molecular Weight257.60 g/mol
Exact Mass257.00
IUPAC Name[1-(6-chloropyridazin-3-yl)imidazol-2-yl]-methylphosphinate
SMILESCP(=O)([O-])c1nccn1-c1ccc(Cl)nn1
InChIInChI=1S/C8H8ClN4O2P/c1-16(14,15)8-10-4-5-13(8)7-3-2-6(9)11-12-7/h2-5H,1H3,(H,14,15)/p-1
InChIKeyBTCSUUOQXZEPTJ-UHFFFAOYSA-M
XLogP0.21
TPSA83.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.60
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(6-chloropyridazin-3-yl)imidazol-2-yl]-methylphosphinate?
The IUPAC name of [1-(6-chloropyridazin-3-yl)imidazol-2-yl]-methylphosphinate (CID 6414685) is [1-(6-chloropyridazin-3-yl)imidazol-2-yl]-methylphosphinate.
What is the SMILES notation for [1-(6-chloropyridazin-3-yl)imidazol-2-yl]-methylphosphinate?
The canonical SMILES for [1-(6-chloropyridazin-3-yl)imidazol-2-yl]-methylphosphinate is CP(=O)([O-])c1nccn1-c1ccc(Cl)nn1.
What is the InChIKey of [1-(6-chloropyridazin-3-yl)imidazol-2-yl]-methylphosphinate?
The InChIKey is BTCSUUOQXZEPTJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8ClN4O2P/c1-16(14,15)8-10-4-5-13(8)7-3-2-6(9)11-12-7/h2-5H,1H3,(H,14,15)/p-1.
What are the key properties of [1-(6-chloropyridazin-3-yl)imidazol-2-yl]-methylphosphinate?
[1-(6-chloropyridazin-3-yl)imidazol-2-yl]-methylphosphinate has a molecular weight of 257.60 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloropyridazin-3-yl)imidazol-2-yl]-methylphosphinate is sourced from PubChem (CID 6414685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).