2-[(6-bromo-3-pyridinyl)oxy]-N,N-dimethylpropanamide

C10H13BrN2O2 — CID 107396753

IUPAC2-[(6-bromo-3-pyridinyl)oxy]-N,N-dimethylpropanamide
SMILESCC(Oc1ccc(Br)nc1)C(=O)N(C)C
InChIInChI=1S/C10H13BrN2O2/c1-7(10(14)13(2)3)15-8-4-5-9(11)12-6-8/h4-7H,1-3H3
InChIKeyNZVBGTIKVNEGNV-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.70
Rot. Bonds3

About 2-[(6-bromo-3-pyridinyl)oxy]-N,N-dimethylpropanamide

2-[(6-bromo-3-pyridinyl)oxy]-N,N-dimethylpropanamide (PubChem CID 107396753) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-[(6-bromo-3-pyridinyl)oxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(6-bromo-3-pyridinyl)oxy]-N,N-dimethylpropanamide
PubChem CID107396753
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name2-[(6-bromo-3-pyridinyl)oxy]-N,N-dimethylpropanamide
SMILESCC(Oc1ccc(Br)nc1)C(=O)N(C)C
InChIInChI=1S/C10H13BrN2O2/c1-7(10(14)13(2)3)15-8-4-5-9(11)12-6-8/h4-7H,1-3H3
InChIKeyNZVBGTIKVNEGNV-UHFFFAOYSA-N
XLogP1.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(6-bromo-3-pyridinyl)oxy]propanoic acid
CID 138717997
2-[(6-bromo-3-pyridinyl)oxy]-N-carbamoylpropanamide
CID 107396697
2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide
CID 107396677
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N,N-dimethylpropanamide
CID 79795923
2-(3-bromophenoxy)-N,N-dimethylpropanamide
CID 43085551
4-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 40895940
2-amino-5-[1-(dimethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107076929
N,N-dimethyl-2-(4-propanoylphenoxy)propanamide
CID 43085562
2-(4-cyanophenoxy)-N,N-dimethylpropanamide
CID 17400502
2-[(6-bromo-3-pyridinyl)oxy]propanenitrile
CID 107396751
N,N-dimethyl-2-(4-nitrophenoxy)propanamide
CID 43887389
2-[4-[(tert-butylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 63062524

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-3-pyridinyl)oxy]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(6-bromo-3-pyridinyl)oxy]-N,N-dimethylpropanamide (CID 107396753) is 2-[(6-bromo-3-pyridinyl)oxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(6-bromo-3-pyridinyl)oxy]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(6-bromo-3-pyridinyl)oxy]-N,N-dimethylpropanamide is CC(Oc1ccc(Br)nc1)C(=O)N(C)C.
What is the InChIKey of 2-[(6-bromo-3-pyridinyl)oxy]-N,N-dimethylpropanamide?
The InChIKey is NZVBGTIKVNEGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-7(10(14)13(2)3)15-8-4-5-9(11)12-6-8/h4-7H,1-3H3.
What are the key properties of 2-[(6-bromo-3-pyridinyl)oxy]-N,N-dimethylpropanamide?
2-[(6-bromo-3-pyridinyl)oxy]-N,N-dimethylpropanamide has a molecular weight of 273.13 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-3-pyridinyl)oxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 107396753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).