Completing data — usually done within a minute
Basic information
- CAS
1312304-36-1- Standard SMILES
COC(=O)C1(O)CC(CO)=NN1c1ncccc1Cl- InChIKey
BDGQITLQPABXNZ-UHFFFAOYSA-N- Molecular formula
- C11H12ClN3O4
- Average molar mass
- 285.68 g/mol
- Monoisotopic mass
- 285.05163354
Names & identifiers
- Preferred name
- methyl 1-(3-chloropyridin-2-yl)-5-hydroxy-3-(hydroxymethyl)-4,5-dihydro-1H-pyrazole-5-carboxylate
- IUPAC
- methyl 2-(3-chloro-2-pyridinyl)-3-hydroxy-5-(hydroxymethyl)-4H-pyrazole-3-carboxylate
Names & synonyms
DTXSID001035862Methyl 1-(3-chloropyridin-2-yl)-5-hydroxy-3-(hydroxymethyl)-4,5-dihydro-1H-pyrazole-5-carboxylate1312304-36-1RefChem:812556DTXCID201520124EC 936-349-9936-349-9SCHEMBL1980244BDGQITLQPABXNZ-UHFFFAOYSA-NNS00002835
Database identifiers
- CAS
1312304-36-1- PubChem CID
- 54577408
- DTXSID
DTXSID001035862- EC Number
- 936-349-9
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 95.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 392
Safety & regulation
Hazard information
Regulatory InformationStatus: Cease Manufacture Update: 17-09-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16308
Related reactions
9 records
Compound notes
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