ethyl 2-(6-chloro-2-pyridinyl)pyrazole-3-carboxylate

C11H10ClN3O2 — CID 172719605

IUPACethyl 2-(6-chloro-2-pyridinyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1ccnn1-c1cccc(Cl)n1
InChIInChI=1S/C11H10ClN3O2/c1-2-17-11(16)8-6-7-13-15(8)10-5-3-4-9(12)14-10/h3-7H,2H2,1H3
InChIKeyGIEUILGGQLXLSL-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.10
Rot. Bonds3

About ethyl 2-(6-chloro-2-pyridinyl)pyrazole-3-carboxylate

ethyl 2-(6-chloro-2-pyridinyl)pyrazole-3-carboxylate (PubChem CID 172719605) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is ethyl 2-(6-chloro-2-pyridinyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(6-chloro-2-pyridinyl)pyrazole-3-carboxylate
PubChem CID172719605
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Nameethyl 2-(6-chloro-2-pyridinyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1ccnn1-c1cccc(Cl)n1
InChIInChI=1S/C11H10ClN3O2/c1-2-17-11(16)8-6-7-13-15(8)10-5-3-4-9(12)14-10/h3-7H,2H2,1H3
InChIKeyGIEUILGGQLXLSL-UHFFFAOYSA-N
XLogP2.10
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-tert-butylpyrazole-3-carboxylate
CID 56956209
2-(5-tert-butylpyrazol-1-yl)-6-chloropyridine
CID 84797851
ethyl 2-(fluoromethyl)pyrazole-3-carboxylate
CID 140995866
ethyl 4-chloro-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate
CID 58859633
diethyl 2-(6-chloro-2-pyridinyl)propanedioate
CID 121003668
ethyl 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate
CID 155487137
ethyl 2-[(2S)-1-aminopropan-2-yl]pyrazole-3-carboxylate;hydrochloride
CID 121293307
ethyl 4-amino-1-(6-carbamoyl-2-pyridinyl)pyrazole-3-carboxylate
CID 107346831
ethyl 1-(6-bromo-2-pyridinyl)-5-ethylpyrazole-4-carboxylate
CID 118626278
ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate;ethyl 2-phenylimidazo[1,2-b]pyridazine-8-carboxylate
CID 161371003
ethyl (2S,3R)-3-(6-chloro-3-methoxy-2-pyridinyl)oxirane-2-carboxylate
CID 165157133
5-ethoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 155820424

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-chloro-2-pyridinyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 2-(6-chloro-2-pyridinyl)pyrazole-3-carboxylate (CID 172719605) is ethyl 2-(6-chloro-2-pyridinyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 2-(6-chloro-2-pyridinyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 2-(6-chloro-2-pyridinyl)pyrazole-3-carboxylate is CCOC(=O)c1ccnn1-c1cccc(Cl)n1.
What is the InChIKey of ethyl 2-(6-chloro-2-pyridinyl)pyrazole-3-carboxylate?
The InChIKey is GIEUILGGQLXLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-2-17-11(16)8-6-7-13-15(8)10-5-3-4-9(12)14-10/h3-7H,2H2,1H3.
What are the key properties of ethyl 2-(6-chloro-2-pyridinyl)pyrazole-3-carboxylate?
ethyl 2-(6-chloro-2-pyridinyl)pyrazole-3-carboxylate has a molecular weight of 251.67 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-chloro-2-pyridinyl)pyrazole-3-carboxylate is sourced from PubChem (CID 172719605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).