[(2S,4S,5R)-4-iodo-5-(2,6,7-trichloroimidazo[1,2-a]pyridin-3-yl)oxolan-2-yl]methanol

C12H10Cl3IN2O2 — CID 10671095

IUPAC[(2S,4S,5R)-4-iodo-5-(2,6,7-trichloroimidazo[1,2-a]pyridin-3-yl)oxolan-2-yl]methanol
SMILESOC[C@@H]1C[C@H](I)[C@@H](c2c(Cl)nc3cc(Cl)c(Cl)cn23)O1
InChIInChI=1S/C12H10Cl3IN2O2/c13-6-2-9-17-12(15)10(18(9)3-7(6)14)11-8(16)1-5(4-19)20-11/h2-3,5,8,11,19H,1,4H2/t5-,8-,11-/m0/s1
InChIKeyTYRUWRFRMALMIM-UPIMIWRCSA-N
MW447.49 g/mol
LogP3.92
Rot. Bonds2

About [(2S,4S,5R)-4-iodo-5-(2,6,7-trichloroimidazo[1,2-a]pyridin-3-yl)oxolan-2-yl]methanol

[(2S,4S,5R)-4-iodo-5-(2,6,7-trichloroimidazo[1,2-a]pyridin-3-yl)oxolan-2-yl]methanol (PubChem CID 10671095) has the molecular formula C12H10Cl3IN2O2 and a molecular weight of 447.49 g/mol. Its IUPAC name is [(2S,4S,5R)-4-iodo-5-(2,6,7-trichloroimidazo[1,2-a]pyridin-3-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S,5R)-4-iodo-5-(2,6,7-trichloroimidazo[1,2-a]pyridin-3-yl)oxolan-2-yl]methanol
PubChem CID10671095
Molecular FormulaC12H10Cl3IN2O2
Molecular Weight447.49 g/mol
Exact Mass445.89
IUPAC Name[(2S,4S,5R)-4-iodo-5-(2,6,7-trichloroimidazo[1,2-a]pyridin-3-yl)oxolan-2-yl]methanol
SMILESOC[C@@H]1C[C@H](I)[C@@H](c2c(Cl)nc3cc(Cl)c(Cl)cn23)O1
InChIInChI=1S/C12H10Cl3IN2O2/c13-6-2-9-17-12(15)10(18(9)3-7(6)14)11-8(16)1-5(4-19)20-11/h2-3,5,8,11,19H,1,4H2/t5-,8-,11-/m0/s1
InChIKeyTYRUWRFRMALMIM-UPIMIWRCSA-N
XLogP3.92
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5R)-4-iodo-5-(2,6,7-trichloroimidazo[1,2-a]pyridin-3-yl)oxolan-2-yl]methanol?
The IUPAC name of [(2S,4S,5R)-4-iodo-5-(2,6,7-trichloroimidazo[1,2-a]pyridin-3-yl)oxolan-2-yl]methanol (CID 10671095) is [(2S,4S,5R)-4-iodo-5-(2,6,7-trichloroimidazo[1,2-a]pyridin-3-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,4S,5R)-4-iodo-5-(2,6,7-trichloroimidazo[1,2-a]pyridin-3-yl)oxolan-2-yl]methanol?
The canonical SMILES for [(2S,4S,5R)-4-iodo-5-(2,6,7-trichloroimidazo[1,2-a]pyridin-3-yl)oxolan-2-yl]methanol is OC[C@@H]1C[C@H](I)[C@@H](c2c(Cl)nc3cc(Cl)c(Cl)cn23)O1.
What is the InChIKey of [(2S,4S,5R)-4-iodo-5-(2,6,7-trichloroimidazo[1,2-a]pyridin-3-yl)oxolan-2-yl]methanol?
The InChIKey is TYRUWRFRMALMIM-UPIMIWRCSA-N. The full InChI is InChI=1S/C12H10Cl3IN2O2/c13-6-2-9-17-12(15)10(18(9)3-7(6)14)11-8(16)1-5(4-19)20-11/h2-3,5,8,11,19H,1,4H2/t5-,8-,11-/m0/s1.
What are the key properties of [(2S,4S,5R)-4-iodo-5-(2,6,7-trichloroimidazo[1,2-a]pyridin-3-yl)oxolan-2-yl]methanol?
[(2S,4S,5R)-4-iodo-5-(2,6,7-trichloroimidazo[1,2-a]pyridin-3-yl)oxolan-2-yl]methanol has a molecular weight of 447.49 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,5R)-4-iodo-5-(2,6,7-trichloroimidazo[1,2-a]pyridin-3-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 10671095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).