2-bromo-1-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)ethanone

C11H11BrN2O3 — CID 153363306

IUPAC2-bromo-1-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)ethanone
SMILESCOc1cc(OC)c2cc(C(=O)CBr)nn2c1
InChIInChI=1S/C11H11BrN2O3/c1-16-7-3-11(17-2)9-4-8(10(15)5-12)13-14(9)6-7/h3-4,6H,5H2,1-2H3
InChIKeyBMWMIYUWQKBECP-UHFFFAOYSA-N
MW299.12 g/mol
LogP1.93
Rot. Bonds4

About 2-bromo-1-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)ethanone

2-bromo-1-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)ethanone (PubChem CID 153363306) has the molecular formula C11H11BrN2O3 and a molecular weight of 299.12 g/mol. Its IUPAC name is 2-bromo-1-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)ethanone
PubChem CID153363306
Molecular FormulaC11H11BrN2O3
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Name2-bromo-1-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)ethanone
SMILESCOc1cc(OC)c2cc(C(=O)CBr)nn2c1
InChIInChI=1S/C11H11BrN2O3/c1-16-7-3-11(17-2)9-4-8(10(15)5-12)13-14(9)6-7/h3-4,6H,5H2,1-2H3
InChIKeyBMWMIYUWQKBECP-UHFFFAOYSA-N
XLogP1.93
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 153363294
1-(6-methoxy-4-phenylmethoxypyrazolo[1,5-a]pyridin-2-yl)ethanol
CID 153363263
2-bromo-1-[2-methoxy-5-(4-methoxyphenyl)phenyl]ethanone
CID 59113906
2-bromo-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 15643655
2-bromo-1-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone
CID 151539993
2-bromo-6,8-dimethoxyindolizine
CID 170902805
2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone
CID 86014406
2-methylsulfanyl-1-(2,4,6-trimethoxyphenyl)ethanone
CID 86045322
azane;2-bromo-1-(4-methoxyphenyl)ethanone
CID 118975954
2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone
CID 90061824
2-bromo-1-(3-bromo-4-methoxyphenyl)ethanone
CID 2756849
2-[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-N-phenylacetamide
CID 147673011

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)ethanone?
The IUPAC name of 2-bromo-1-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)ethanone (CID 153363306) is 2-bromo-1-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)ethanone?
The canonical SMILES for 2-bromo-1-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)ethanone is COc1cc(OC)c2cc(C(=O)CBr)nn2c1.
What is the InChIKey of 2-bromo-1-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)ethanone?
The InChIKey is BMWMIYUWQKBECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3/c1-16-7-3-11(17-2)9-4-8(10(15)5-12)13-14(9)6-7/h3-4,6H,5H2,1-2H3.
What are the key properties of 2-bromo-1-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)ethanone?
2-bromo-1-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)ethanone has a molecular weight of 299.12 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4,6-dimethoxypyrazolo[1,5-a]pyridin-2-yl)ethanone is sourced from PubChem (CID 153363306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).