N-(6-bromo-3-pyridinyl)-2,2-dimethoxyacetamide

C9H11BrN2O3 — CID 164646765

IUPACN-(6-bromo-3-pyridinyl)-2,2-dimethoxyacetamide
SMILESCOC(OC)C(=O)Nc1ccc(Br)nc1
InChIInChI=1S/C9H11BrN2O3/c1-14-9(15-2)8(13)12-6-3-4-7(10)11-5-6/h3-5,9H,1-2H3,(H,12,13)
InChIKeyLLEKFABPKXEBJZ-UHFFFAOYSA-N
MW275.10 g/mol
LogP1.40
Rot. Bonds4

About N-(6-bromo-3-pyridinyl)-2,2-dimethoxyacetamide

N-(6-bromo-3-pyridinyl)-2,2-dimethoxyacetamide (PubChem CID 164646765) has the molecular formula C9H11BrN2O3 and a molecular weight of 275.10 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-2,2-dimethoxyacetamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-2,2-dimethoxyacetamide
PubChem CID164646765
Molecular FormulaC9H11BrN2O3
Molecular Weight275.10 g/mol
Exact Mass274.00
IUPAC NameN-(6-bromo-3-pyridinyl)-2,2-dimethoxyacetamide
SMILESCOC(OC)C(=O)Nc1ccc(Br)nc1
InChIInChI=1S/C9H11BrN2O3/c1-14-9(15-2)8(13)12-6-3-4-7(10)11-5-6/h3-5,9H,1-2H3,(H,12,13)
InChIKeyLLEKFABPKXEBJZ-UHFFFAOYSA-N
XLogP1.40
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-(6-bromo-3-pyridinyl)propanamide
CID 103813937
butane;ethane;methyl N-(6-bromo-3-pyridinyl)carbamate
CID 155739077
N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide
CID 110605077
2-bromo-N-(6-methoxy-3-pyridinyl)propanamide
CID 107902789
N-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 103789411
N-(6-bromo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 110605088
[(2S)-2-methylbutyl] N-(6-bromo-3-pyridinyl)carbamate
CID 155739115
N-(6-bromo-3-pyridinyl)-1-ethylcyclopropane-1-carboxamide
CID 130163122
N-(6-bromo-3-pyridinyl)-2-phenyl-3-pyridin-2-ylpropanamide
CID 110614697
N-(6-bromo-3-pyridinyl)-3-(dimethylamino)propanamide
CID 130770751
N-(6-bromo-3-pyridinyl)-1-methylcyclopentane-1-carboxamide
CID 103789447
N-(6-bromo-3-pyridinyl)-4-fluorobenzamide
CID 44602373

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-2,2-dimethoxyacetamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-2,2-dimethoxyacetamide (CID 164646765) is N-(6-bromo-3-pyridinyl)-2,2-dimethoxyacetamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-2,2-dimethoxyacetamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-2,2-dimethoxyacetamide is COC(OC)C(=O)Nc1ccc(Br)nc1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-2,2-dimethoxyacetamide?
The InChIKey is LLEKFABPKXEBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O3/c1-14-9(15-2)8(13)12-6-3-4-7(10)11-5-6/h3-5,9H,1-2H3,(H,12,13).
What are the key properties of N-(6-bromo-3-pyridinyl)-2,2-dimethoxyacetamide?
N-(6-bromo-3-pyridinyl)-2,2-dimethoxyacetamide has a molecular weight of 275.10 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-2,2-dimethoxyacetamide is sourced from PubChem (CID 164646765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).