3-(2-bromoethoxy)-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl chloride

C11H8BrCl2N3O2 — CID 141357210

IUPAC3-(2-bromoethoxy)-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl chloride
SMILESO=C(Cl)c1cc(OCCBr)nn1-c1ncccc1Cl
InChIInChI=1S/C11H8BrCl2N3O2/c12-3-5-19-9-6-8(10(14)18)17(16-9)11-7(13)2-1-4-15-11/h1-2,4,6H,3,5H2
InChIKeyMEYIFQGPJDPQJX-UHFFFAOYSA-N
MW365.01 g/mol
LogP3.07
Rot. Bonds5

About 3-(2-bromoethoxy)-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl chloride

3-(2-bromoethoxy)-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl chloride (PubChem CID 141357210) has the molecular formula C11H8BrCl2N3O2 and a molecular weight of 365.01 g/mol. Its IUPAC name is 3-(2-bromoethoxy)-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl chloride.

Molecular Properties

Compound Name3-(2-bromoethoxy)-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl chloride
PubChem CID141357210
Molecular FormulaC11H8BrCl2N3O2
Molecular Weight365.01 g/mol
Exact Mass362.92
IUPAC Name3-(2-bromoethoxy)-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl chloride
SMILESO=C(Cl)c1cc(OCCBr)nn1-c1ncccc1Cl
InChIInChI=1S/C11H8BrCl2N3O2/c12-3-5-19-9-6-8(10(14)18)17(16-9)11-7(13)2-1-4-15-11/h1-2,4,6H,3,5H2
InChIKeyMEYIFQGPJDPQJX-UHFFFAOYSA-N
XLogP3.07
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.01
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-2-pyridinyl)-3-ethoxypyrazole-5-carboxylic acid
CID 90391350
1-(3-chloro-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxylic acid
CID 21113385
1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl chloride
CID 18446928
ethyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate
CID 58591624
1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylic acid
CID 58320703
pentyl 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate
CID 59549392
3-chloro-1-(3-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride
CID 164570520
ethyl 1-(3-chloro-2-pyridinyl)-3-propylpyrazole-5-carboxylate
CID 70831964
1-(3-chloro-2-pyridinyl)-3-(nitrosomethyl)pyrazole-5-carboxylic acid
CID 123366023
2-(3-chloro-2-pyridinyl)pyrazole-3-carboxylic acid
CID 66853862
1-(3-chloro-2-pyridinyl)-3-formylpyrazole-5-carboxylic acid
CID 118413128
2-bromoethyl N-[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-3,5-dichlorophenyl]carbamate
CID 140670367

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethoxy)-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl chloride?
The IUPAC name of 3-(2-bromoethoxy)-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl chloride (CID 141357210) is 3-(2-bromoethoxy)-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl chloride.
What is the SMILES notation for 3-(2-bromoethoxy)-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl chloride?
The canonical SMILES for 3-(2-bromoethoxy)-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl chloride is O=C(Cl)c1cc(OCCBr)nn1-c1ncccc1Cl.
What is the InChIKey of 3-(2-bromoethoxy)-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl chloride?
The InChIKey is MEYIFQGPJDPQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2N3O2/c12-3-5-19-9-6-8(10(14)18)17(16-9)11-7(13)2-1-4-15-11/h1-2,4,6H,3,5H2.
What are the key properties of 3-(2-bromoethoxy)-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl chloride?
3-(2-bromoethoxy)-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl chloride has a molecular weight of 365.01 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethoxy)-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl chloride is sourced from PubChem (CID 141357210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).