1-(5-bromo-2-pyridinyl)-2-(methylamino)propan-1-one

C9H11BrN2O — CID 155973765

IUPAC1-(5-bromo-2-pyridinyl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)c1ccc(Br)cn1
InChIInChI=1S/C9H11BrN2O/c1-6(11-2)9(13)8-4-3-7(10)5-12-8/h3-6,11H,1-2H3
InChIKeyUJVQUFOYRGBTBR-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.63
Rot. Bonds3

About 1-(5-bromo-2-pyridinyl)-2-(methylamino)propan-1-one

1-(5-bromo-2-pyridinyl)-2-(methylamino)propan-1-one (PubChem CID 155973765) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-2-(methylamino)propan-1-one
PubChem CID155973765
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name1-(5-bromo-2-pyridinyl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)c1ccc(Br)cn1
InChIInChI=1S/C9H11BrN2O/c1-6(11-2)9(13)8-4-3-7(10)5-12-8/h3-6,11H,1-2H3
InChIKeyUJVQUFOYRGBTBR-UHFFFAOYSA-N
XLogP1.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
2-(methylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;dihydrochloride
CID 155973448
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 55154383
5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 63837989
5-bromo-N-(1-cyanoethyl)pyridine-2-carboxamide
CID 62959350
5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
CID 64596698
methyl 5-bromopyridine-2-carboxylate
CID 7016458
5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide
CID 112688688
5-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide
CID 79107296
5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide
CID 55210499
ethane;methyl 5-bromopyridine-2-carboxylate
CID 143416930
5-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 62954039

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-2-(methylamino)propan-1-one?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-2-(methylamino)propan-1-one (CID 155973765) is 1-(5-bromo-2-pyridinyl)-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-2-(methylamino)propan-1-one is CNC(C)C(=O)c1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-2-(methylamino)propan-1-one?
The InChIKey is UJVQUFOYRGBTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-6(11-2)9(13)8-4-3-7(10)5-12-8/h3-6,11H,1-2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-2-(methylamino)propan-1-one?
1-(5-bromo-2-pyridinyl)-2-(methylamino)propan-1-one has a molecular weight of 243.10 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-2-(methylamino)propan-1-one is sourced from PubChem (CID 155973765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).