HM3
Summary
Name: | (4-chloropyridin-2-yl)methanol |
Synonyms: | 4-chloro-2-hydroxymethylpyridine |
Formula: | C6 H6 Cl N O |
Formal charge: | 0 |
Formula weight: | 143.571 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (4-chloropyridin-2-yl)methanol |
OpenEye OEToolkits | 1.7.0 | (4-chloropyridin-2-yl)methanol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccnc(c1)CO |
SMILES_CANONICAL | CACTVS | 3.370 | OCc1cc(Cl)ccn1 |
SMILES | CACTVS | 3.370 | OCc1cc(Cl)ccn1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cnc(cc1Cl)CO |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cnc(cc1Cl)CO |
InChI | InChI | 1.03 | InChI=1S/C6H6ClNO/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2 |
InChIKey | InChI | 1.03 | UEAIOHHGRGSGGJ-UHFFFAOYSA-N |