KE3
Summary
| Name: | 3-{[(5R)-5-(2,3-dichlorophenyl)tetrazolidin-1-yl]methyl}pyridine |
| Formula: | C13 H13 Cl2 N5 |
| Formal charge: | 0 |
| Formula weight: | 310.182 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-{[(5R)-5-(2,3-dichlorophenyl)tetrazolidin-1-yl]methyl}pyridine |
| OpenEye OEToolkits | 2.0.7 | 3-[[(5~{R})-5-[2,3-bis(chloranyl)phenyl]-1,2,3,4-tetrazolidin-1-yl]methyl]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cccc(c1Cl)C1NNNN1Cc1cccnc1 |
| InChI | InChI | 1.06 | InChI=1S/C13H13Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7,13,17-19H,8H2/t13-/m1/s1 |
| InChIKey | InChI | 1.06 | ZCTJPLYNKJNLLY-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc([C@@H]2NNNN2Cc3cccnc3)c1Cl |
| SMILES | CACTVS | 3.385 | Clc1cccc([CH]2NNNN2Cc3cccnc3)c1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Cl)Cl)[C@@H]2NNNN2Cc3cccnc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Cl)Cl)C2NNNN2Cc3cccnc3 |
