methyl 1-(3-chloropyridin-2-yl)-5-hydroxy-3-(hydroxymethyl)-4,5-dihydro-1H-pyrazole-5-carboxylate

HCID 54577408

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

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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