1-(1-aminocyclopropyl)-2-(5-bromo-3-pyridinyl)ethanone

C10H11BrN2O — CID 116576762

IUPAC1-(1-aminocyclopropyl)-2-(5-bromo-3-pyridinyl)ethanone
SMILESNC1(C(=O)Cc2cncc(Br)c2)CC1
InChIInChI=1S/C10H11BrN2O/c11-8-3-7(5-13-6-8)4-9(14)10(12)1-2-10/h3,5-6H,1-2,4,12H2
InChIKeyXPVHHASXROYXLN-UHFFFAOYSA-N
MW255.11 g/mol
LogP1.45
Rot. Bonds3

About 1-(1-aminocyclopropyl)-2-(5-bromo-3-pyridinyl)ethanone

1-(1-aminocyclopropyl)-2-(5-bromo-3-pyridinyl)ethanone (PubChem CID 116576762) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 1-(1-aminocyclopropyl)-2-(5-bromo-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(1-aminocyclopropyl)-2-(5-bromo-3-pyridinyl)ethanone
PubChem CID116576762
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name1-(1-aminocyclopropyl)-2-(5-bromo-3-pyridinyl)ethanone
SMILESNC1(C(=O)Cc2cncc(Br)c2)CC1
InChIInChI=1S/C10H11BrN2O/c11-8-3-7(5-13-6-8)4-9(14)10(12)1-2-10/h3,5-6H,1-2,4,12H2
InChIKeyXPVHHASXROYXLN-UHFFFAOYSA-N
XLogP1.45
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 116550854
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CID 169488552
1-(5-bromo-3-pyridinyl)-3-pyridin-4-ylpropan-2-one
CID 104798805
1-(3-aminocyclopentyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116587348
1-(3-amino-5-bromophenyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116597271
2-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone
CID 105128871
1-(5-bromo-3-pyridinyl)-3-propan-2-ylsulfanylpropan-2-one
CID 104798958
1-(3-aminocyclohexyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116569032
4-amino-1-(5-bromo-3-pyridinyl)-5-methylhexan-2-one
CID 116606465
1-(1-aminocyclopropyl)-2-(4-bromo-2-fluorophenyl)ethanone
CID 116576707
1-(5-bromo-3-pyridinyl)-3-hydroxy-4-methylpentan-2-one
CID 103455295

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopropyl)-2-(5-bromo-3-pyridinyl)ethanone?
The IUPAC name of 1-(1-aminocyclopropyl)-2-(5-bromo-3-pyridinyl)ethanone (CID 116576762) is 1-(1-aminocyclopropyl)-2-(5-bromo-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(1-aminocyclopropyl)-2-(5-bromo-3-pyridinyl)ethanone?
The canonical SMILES for 1-(1-aminocyclopropyl)-2-(5-bromo-3-pyridinyl)ethanone is NC1(C(=O)Cc2cncc(Br)c2)CC1.
What is the InChIKey of 1-(1-aminocyclopropyl)-2-(5-bromo-3-pyridinyl)ethanone?
The InChIKey is XPVHHASXROYXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c11-8-3-7(5-13-6-8)4-9(14)10(12)1-2-10/h3,5-6H,1-2,4,12H2.
What are the key properties of 1-(1-aminocyclopropyl)-2-(5-bromo-3-pyridinyl)ethanone?
1-(1-aminocyclopropyl)-2-(5-bromo-3-pyridinyl)ethanone has a molecular weight of 255.11 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopropyl)-2-(5-bromo-3-pyridinyl)ethanone is sourced from PubChem (CID 116576762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).