ethyl 5-(3-chloro-2-pyridinyl)-5-hydroxypyrazolidine-3-carboxylate

C11H14ClN3O3 — CID 175390289

IUPACethyl 5-(3-chloro-2-pyridinyl)-5-hydroxypyrazolidine-3-carboxylate
SMILESCCOC(=O)C1CC(O)(c2ncccc2Cl)NN1
InChIInChI=1S/C11H14ClN3O3/c1-2-18-10(16)8-6-11(17,15-14-8)9-7(12)4-3-5-13-9/h3-5,8,14-15,17H,2,6H2,1H3
InChIKeyKGCMRPUWMFCWTE-UHFFFAOYSA-N
MW271.70 g/mol
LogP0.31
Rot. Bonds3

About ethyl 5-(3-chloro-2-pyridinyl)-5-hydroxypyrazolidine-3-carboxylate

ethyl 5-(3-chloro-2-pyridinyl)-5-hydroxypyrazolidine-3-carboxylate (PubChem CID 175390289) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is ethyl 5-(3-chloro-2-pyridinyl)-5-hydroxypyrazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-chloro-2-pyridinyl)-5-hydroxypyrazolidine-3-carboxylate
PubChem CID175390289
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Nameethyl 5-(3-chloro-2-pyridinyl)-5-hydroxypyrazolidine-3-carboxylate
SMILESCCOC(=O)C1CC(O)(c2ncccc2Cl)NN1
InChIInChI=1S/C11H14ClN3O3/c1-2-18-10(16)8-6-11(17,15-14-8)9-7(12)4-3-5-13-9/h3-5,8,14-15,17H,2,6H2,1H3
InChIKeyKGCMRPUWMFCWTE-UHFFFAOYSA-N
XLogP0.31
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-bromo-2-(3-chloro-2-pyridinyl)-3,4-dihydropyrazole-4-carboxylate
CID 91061838
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ethyl 2-(3-chloro-2-pyridinyl)-5-methylsulfonyloxy-3,4-dihydropyrazole-3-carboxylate
CID 166154467
ethyl 2-(3-chloro-2-pyridinyl)-5-phenyl-3,4-dihydropyrazole-3-carboxylate
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ethyl 2-[(3-chloro-2-pyridinyl)sulfanyl]propanoate
CID 62046154
1-(3-chloro-2-pyridinyl)cyclopropan-1-ol
CID 174048880
ethyl (2S)-4-(2-chlorophenyl)-5,6-dioxopiperazine-2-carboxylate
CID 124676693
ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate
CID 54268736
ethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate
CID 71741541
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ethyl 8-hydroxy-5,6,7,8-tetrahydroquinoline-6-carboxylate
CID 86614352

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-chloro-2-pyridinyl)-5-hydroxypyrazolidine-3-carboxylate?
The IUPAC name of ethyl 5-(3-chloro-2-pyridinyl)-5-hydroxypyrazolidine-3-carboxylate (CID 175390289) is ethyl 5-(3-chloro-2-pyridinyl)-5-hydroxypyrazolidine-3-carboxylate.
What is the SMILES notation for ethyl 5-(3-chloro-2-pyridinyl)-5-hydroxypyrazolidine-3-carboxylate?
The canonical SMILES for ethyl 5-(3-chloro-2-pyridinyl)-5-hydroxypyrazolidine-3-carboxylate is CCOC(=O)C1CC(O)(c2ncccc2Cl)NN1.
What is the InChIKey of ethyl 5-(3-chloro-2-pyridinyl)-5-hydroxypyrazolidine-3-carboxylate?
The InChIKey is KGCMRPUWMFCWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-2-18-10(16)8-6-11(17,15-14-8)9-7(12)4-3-5-13-9/h3-5,8,14-15,17H,2,6H2,1H3.
What are the key properties of ethyl 5-(3-chloro-2-pyridinyl)-5-hydroxypyrazolidine-3-carboxylate?
ethyl 5-(3-chloro-2-pyridinyl)-5-hydroxypyrazolidine-3-carboxylate has a molecular weight of 271.70 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-chloro-2-pyridinyl)-5-hydroxypyrazolidine-3-carboxylate is sourced from PubChem (CID 175390289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).