1-(5-bromo-2-pyridinyl)-2-(2-methylcyclopropyl)ethanone

C11H12BrNO — CID 167421881

IUPAC1-(5-bromo-2-pyridinyl)-2-(2-methylcyclopropyl)ethanone
SMILESCC1CC1CC(=O)c1ccc(Br)cn1
InChIInChI=1S/C11H12BrNO/c1-7-4-8(7)5-11(14)10-3-2-9(12)6-13-10/h2-3,6-8H,4-5H2,1H3
InChIKeyCFXDSVYTEFTNGE-UHFFFAOYSA-N
MW254.13 g/mol
LogP3.07
Rot. Bonds3

About 1-(5-bromo-2-pyridinyl)-2-(2-methylcyclopropyl)ethanone

1-(5-bromo-2-pyridinyl)-2-(2-methylcyclopropyl)ethanone (PubChem CID 167421881) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-2-(2-methylcyclopropyl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-2-(2-methylcyclopropyl)ethanone
PubChem CID167421881
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name1-(5-bromo-2-pyridinyl)-2-(2-methylcyclopropyl)ethanone
SMILESCC1CC1CC(=O)c1ccc(Br)cn1
InChIInChI=1S/C11H12BrNO/c1-7-4-8(7)5-11(14)10-3-2-9(12)6-13-10/h2-3,6-8H,4-5H2,1H3
InChIKeyCFXDSVYTEFTNGE-UHFFFAOYSA-N
XLogP3.07
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 107418817
5-bromo-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide
CID 64743706
1-(5-bromopyridine-2-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741792
tert-butyl 3-(5-bromo-2-pyridinyl)-3-oxopropanoate
CID 71580223
5-bromo-N-cyclopropyl-N-ethylpyridine-2-carboxamide
CID 62953692
4-(5-bromo-2-pyridinyl)-2,4-dioxobutanoic acid
CID 151174213
1-(5-bromo-2-pyridinyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanone
CID 114982980
(5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone
CID 62954265
3-(5-bromopyridine-2-carbonyl)oxolan-2-one
CID 5103830
2-bromo-1-(5-bromo-2-pyridinyl)-2-methylpropan-1-one
CID 164562677
methyl 5-bromopyridine-2-carboxylate
CID 7016458
(5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119646070

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-2-(2-methylcyclopropyl)ethanone?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-2-(2-methylcyclopropyl)ethanone (CID 167421881) is 1-(5-bromo-2-pyridinyl)-2-(2-methylcyclopropyl)ethanone.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-2-(2-methylcyclopropyl)ethanone?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-2-(2-methylcyclopropyl)ethanone is CC1CC1CC(=O)c1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-2-(2-methylcyclopropyl)ethanone?
The InChIKey is CFXDSVYTEFTNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-7-4-8(7)5-11(14)10-3-2-9(12)6-13-10/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-2-(2-methylcyclopropyl)ethanone?
1-(5-bromo-2-pyridinyl)-2-(2-methylcyclopropyl)ethanone has a molecular weight of 254.13 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-2-(2-methylcyclopropyl)ethanone is sourced from PubChem (CID 167421881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).