(1-chloro-5-fluoroindolizin-8-yl)-(1H-imidazol-2-yl)methanol

C12H9ClFN3O — CID 156906080

IUPAC(1-chloro-5-fluoroindolizin-8-yl)-(1H-imidazol-2-yl)methanol
SMILESOC(c1ncc[nH]1)c1ccc(F)n2ccc(Cl)c12
InChIInChI=1S/C12H9ClFN3O/c13-8-3-6-17-9(14)2-1-7(10(8)17)11(18)12-15-4-5-16-12/h1-6,11,18H,(H,15,16)
InChIKeyCIPRAUHPZDUZHV-UHFFFAOYSA-N
MW265.68 g/mol
LogP2.54
Rot. Bonds2

About (1-chloro-5-fluoroindolizin-8-yl)-(1H-imidazol-2-yl)methanol

(1-chloro-5-fluoroindolizin-8-yl)-(1H-imidazol-2-yl)methanol (PubChem CID 156906080) has the molecular formula C12H9ClFN3O and a molecular weight of 265.68 g/mol. Its IUPAC name is (1-chloro-5-fluoroindolizin-8-yl)-(1H-imidazol-2-yl)methanol.

Molecular Properties

Compound Name(1-chloro-5-fluoroindolizin-8-yl)-(1H-imidazol-2-yl)methanol
PubChem CID156906080
Molecular FormulaC12H9ClFN3O
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC Name(1-chloro-5-fluoroindolizin-8-yl)-(1H-imidazol-2-yl)methanol
SMILESOC(c1ncc[nH]1)c1ccc(F)n2ccc(Cl)c12
InChIInChI=1S/C12H9ClFN3O/c13-8-3-6-17-9(14)2-1-7(10(8)17)11(18)12-15-4-5-16-12/h1-6,11,18H,(H,15,16)
InChIKeyCIPRAUHPZDUZHV-UHFFFAOYSA-N
XLogP2.54
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (1-chloro-5-fluoroindolizin-8-yl)-(1H-imidazol-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-chloro-5-fluoroindolizin-8-yl)-(1H-imidazol-2-yl)methanol?
The IUPAC name of (1-chloro-5-fluoroindolizin-8-yl)-(1H-imidazol-2-yl)methanol (CID 156906080) is (1-chloro-5-fluoroindolizin-8-yl)-(1H-imidazol-2-yl)methanol.
What is the SMILES notation for (1-chloro-5-fluoroindolizin-8-yl)-(1H-imidazol-2-yl)methanol?
The canonical SMILES for (1-chloro-5-fluoroindolizin-8-yl)-(1H-imidazol-2-yl)methanol is OC(c1ncc[nH]1)c1ccc(F)n2ccc(Cl)c12.
What is the InChIKey of (1-chloro-5-fluoroindolizin-8-yl)-(1H-imidazol-2-yl)methanol?
The InChIKey is CIPRAUHPZDUZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c13-8-3-6-17-9(14)2-1-7(10(8)17)11(18)12-15-4-5-16-12/h1-6,11,18H,(H,15,16).
What are the key properties of (1-chloro-5-fluoroindolizin-8-yl)-(1H-imidazol-2-yl)methanol?
(1-chloro-5-fluoroindolizin-8-yl)-(1H-imidazol-2-yl)methanol has a molecular weight of 265.68 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-5-fluoroindolizin-8-yl)-(1H-imidazol-2-yl)methanol is sourced from PubChem (CID 156906080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).