(2R)-2-(6-chloropyrazin-2-yl)iodanuidyl-2-phenylethanol

C12H11ClIN2O- — CID 163601585

IUPAC(2R)-2-(6-chloropyrazin-2-yl)iodanuidyl-2-phenylethanol
SMILESOC[C@H]([I-]c1cncc(Cl)n1)c1ccccc1
InChIInChI=1S/C12H11ClIN2O/c13-11-6-15-7-12(16-11)14-10(8-17)9-4-2-1-3-5-9/h1-7,10,17H,8H2/q-1/t10-/m0/s1
InChIKeyOCZOVFRCKTYSOY-JTQLQIEISA-N
MW361.59 g/mol
LogP-0.88
Rot. Bonds4

About (2R)-2-(6-chloropyrazin-2-yl)iodanuidyl-2-phenylethanol

(2R)-2-(6-chloropyrazin-2-yl)iodanuidyl-2-phenylethanol (PubChem CID 163601585) has the molecular formula C12H11ClIN2O- and a molecular weight of 361.59 g/mol. Its IUPAC name is (2R)-2-(6-chloropyrazin-2-yl)iodanuidyl-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-(6-chloropyrazin-2-yl)iodanuidyl-2-phenylethanol
PubChem CID163601585
Molecular FormulaC12H11ClIN2O-
Molecular Weight361.59 g/mol
Exact Mass360.96
IUPAC Name(2R)-2-(6-chloropyrazin-2-yl)iodanuidyl-2-phenylethanol
SMILESOC[C@H]([I-]c1cncc(Cl)n1)c1ccccc1
InChIInChI=1S/C12H11ClIN2O/c13-11-6-15-7-12(16-11)14-10(8-17)9-4-2-1-3-5-9/h1-7,10,17H,8H2/q-1/t10-/m0/s1
InChIKeyOCZOVFRCKTYSOY-JTQLQIEISA-N
XLogP-0.88
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.59
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-methyl-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 103336949
6-chloro-N-(3-phenylbutyl)pyrazine-2-carboxamide
CID 106551267
6-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide
CID 103336985
(6-chloropyrazin-2-yl)-diphenylmethanol
CID 139402192
6-chloro-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide
CID 55160768
1-(4-chlorophenyl)-3-hydroxy-2-phenylpropan-1-one
CID 122226240
2-(6-chloropyrazin-2-yl)sulfanylbenzoic acid
CID 114335537
2-chloro-3,3-diphenylpropan-1-ol
CID 57151850
2,2-dipyridin-3-ylethanol
CID 57450821
CID 87209027
CID 87209027
N-(6-chloropyrazin-2-yl)-3-phenylpropanamide
CID 115599331
2-chloro-6-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile
CID 83077491

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-chloropyrazin-2-yl)iodanuidyl-2-phenylethanol?
The IUPAC name of (2R)-2-(6-chloropyrazin-2-yl)iodanuidyl-2-phenylethanol (CID 163601585) is (2R)-2-(6-chloropyrazin-2-yl)iodanuidyl-2-phenylethanol.
What is the SMILES notation for (2R)-2-(6-chloropyrazin-2-yl)iodanuidyl-2-phenylethanol?
The canonical SMILES for (2R)-2-(6-chloropyrazin-2-yl)iodanuidyl-2-phenylethanol is OC[C@H]([I-]c1cncc(Cl)n1)c1ccccc1.
What is the InChIKey of (2R)-2-(6-chloropyrazin-2-yl)iodanuidyl-2-phenylethanol?
The InChIKey is OCZOVFRCKTYSOY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H11ClIN2O/c13-11-6-15-7-12(16-11)14-10(8-17)9-4-2-1-3-5-9/h1-7,10,17H,8H2/q-1/t10-/m0/s1.
What are the key properties of (2R)-2-(6-chloropyrazin-2-yl)iodanuidyl-2-phenylethanol?
(2R)-2-(6-chloropyrazin-2-yl)iodanuidyl-2-phenylethanol has a molecular weight of 361.59 g/mol, XLogP of -0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-chloropyrazin-2-yl)iodanuidyl-2-phenylethanol is sourced from PubChem (CID 163601585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).