2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dibromo-2-pyridinyl)ethanone

C14H15Br2NO — CID 113398278

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dibromo-2-pyridinyl)ethanone
SMILESO=C(CC1CC2CCC1C2)c1ncc(Br)cc1Br
InChIInChI=1S/C14H15Br2NO/c15-11-6-12(16)14(17-7-11)13(18)5-10-4-8-1-2-9(10)3-8/h6-10H,1-5H2
InChIKeyFNUFNZARIXMZNG-UHFFFAOYSA-N
MW373.09 g/mol
LogP4.62
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dibromo-2-pyridinyl)ethanone

2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dibromo-2-pyridinyl)ethanone (PubChem CID 113398278) has the molecular formula C14H15Br2NO and a molecular weight of 373.09 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dibromo-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dibromo-2-pyridinyl)ethanone
PubChem CID113398278
Molecular FormulaC14H15Br2NO
Molecular Weight373.09 g/mol
Exact Mass370.95
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dibromo-2-pyridinyl)ethanone
SMILESO=C(CC1CC2CCC1C2)c1ncc(Br)cc1Br
InChIInChI=1S/C14H15Br2NO/c15-11-6-12(16)14(17-7-11)13(18)5-10-4-8-1-2-9(10)3-8/h6-10H,1-5H2
InChIKeyFNUFNZARIXMZNG-UHFFFAOYSA-N
XLogP4.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.09
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-(5-bromo-2-chloro-3-pyridinyl)acetamide
CID 102979480
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylpyrazol-3-yl)ethanone
CID 79558422
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanone
CID 115784998
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,2,5-thiadiazol-3-yl)ethanone
CID 105116844
2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 104541247
3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-N-methylpyridin-2-amine
CID 63683256
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
(6-bromo-1,3-benzodioxol-5-yl)methyl 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 18555273
[2-(3-bromophenyl)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 23856170
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-hydrazinylpyridine-3-sulfonamide
CID 63683555
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-dibromo-N-methylbenzamide
CID 107952430

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dibromo-2-pyridinyl)ethanone?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dibromo-2-pyridinyl)ethanone (CID 113398278) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dibromo-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dibromo-2-pyridinyl)ethanone?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dibromo-2-pyridinyl)ethanone is O=C(CC1CC2CCC1C2)c1ncc(Br)cc1Br.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dibromo-2-pyridinyl)ethanone?
The InChIKey is FNUFNZARIXMZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NO/c15-11-6-12(16)14(17-7-11)13(18)5-10-4-8-1-2-9(10)3-8/h6-10H,1-5H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dibromo-2-pyridinyl)ethanone?
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dibromo-2-pyridinyl)ethanone has a molecular weight of 373.09 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dibromo-2-pyridinyl)ethanone is sourced from PubChem (CID 113398278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).