FJE
Summary
Name: | [3-azanyl-2,6-bis(fluoranyl)phenyl]-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)methanone |
Formula: | C14 H8 Cl F2 N3 O |
Formal charge: | 0 |
Formula weight: | 307.683 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | [3-azanyl-2,6-bis(fluoranyl)phenyl]-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)methanone |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C14H8ClF2N3O/c15-6-3-7-8(5-20-14(7)19-4-6)13(21)11-9(16)1-2-10(18)12(11)17/h1-5H,18H2,(H,19,20) |
InChIKey | InChI | 1.03 | MVKWDNQCWQPTST-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(F)c(c1F)C(=O)c2c[nH]c3ncc(Cl)cc23 |
SMILES | CACTVS | 3.385 | Nc1ccc(F)c(c1F)C(=O)c2c[nH]c3ncc(Cl)cc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(c(c1N)F)C(=O)c2c[nH]c3c2cc(cn3)Cl)F |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(c(c1N)F)C(=O)c2c[nH]c3c2cc(cn3)Cl)F |