(2R,3S,5S,6S)-3,5-dibromotricyclo[2.2.1.02,6]heptane

C7H8Br2 — CID 76763972

IUPAC(2R,3S,5S,6S)-3,5-dibromotricyclo[2.2.1.02,6]heptane
SMILESBr[C@@H]1C2CC3[C@@H]1[C@H]3[C@@H]2Br
InChIInChI=1S/C7H8Br2/c8-6-3-1-2-4(6)5(2)7(3)9/h2-7H,1H2/t2?,3?,4-,5+,6-,7-/m1/s1
InChIKeySYFIGJNFOVWPEX-LURNONNXSA-N
MW251.95 g/mol
LogP2.41
Rot. Bonds

About (2R,3S,5S,6S)-3,5-dibromotricyclo[2.2.1.02,6]heptane

(2R,3S,5S,6S)-3,5-dibromotricyclo[2.2.1.02,6]heptane (PubChem CID 76763972) has the molecular formula C7H8Br2 and a molecular weight of 251.95 g/mol. Its IUPAC name is (2R,3S,5S,6S)-3,5-dibromotricyclo[2.2.1.02,6]heptane.

Molecular Properties

Compound Name(2R,3S,5S,6S)-3,5-dibromotricyclo[2.2.1.02,6]heptane
PubChem CID76763972
Molecular FormulaC7H8Br2
Molecular Weight251.95 g/mol
Exact Mass249.90
IUPAC Name(2R,3S,5S,6S)-3,5-dibromotricyclo[2.2.1.02,6]heptane
SMILESBr[C@@H]1C2CC3[C@@H]1[C@H]3[C@@H]2Br
InChIInChI=1S/C7H8Br2/c8-6-3-1-2-4(6)5(2)7(3)9/h2-7H,1H2/t2?,3?,4-,5+,6-,7-/m1/s1
InChIKeySYFIGJNFOVWPEX-LURNONNXSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.95
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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CID 99845185
(NE)-N-[(1S,2S,3S,5S,6R,7R,8S,9R,10S)-7-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene]hydroxylamine
CID 99846566
(1'S,2'S,3'S,5'S,6'R,7'R,8'S,9'S,10'S)-7'-bromospiro[1,3-dioxolane-2,4'-pentacyclo[6.3.0.02,6.03,10.05,9]undecane]
CID 129434303
3-bromo-5-(4-chlorophenyl)sulfonyltricyclo[2.2.1.02,6]heptane
CID 17383272
(1R,2S,4S,5S,6R,9S)-5,9-dibromotricyclo[4.2.1.02,4]nonane
CID 15248260
(1R,2S,3S,5S,6S,8S,9R,10S)-4,4-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecane
CID 124764003
3-[2-[(1R,3R,4R,5S)-5-bromo-3-tricyclo[2.2.1.02,6]heptanyl]acetyl]-1,3-oxazolidin-2-one
CID 23230565
4,5,11,12-tetramethylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane
CID 23600006
(2S,3R,5R,6S)-tricyclo[2.2.1.02,6]heptane-3,5-diol
CID 124541002
(1S,4S,6R,9R)-5,10-dibromotricyclo[7.1.0.04,6]decane
CID 102446980
[(Z)-[(1R,2R,3S,5S,6R,7S,8R,9R,10R)-7-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene]amino]urea
CID 98537453
3,4,5,8-tetramethyl-9-[2,3,4-trimethyl-5-[3,4,5-trimethyl-9-(2,3,4,5-tetramethylcyclopentyl)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentyl]tricyclo[5.2.1.02,6]decane
CID 123436578

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S,6S)-3,5-dibromotricyclo[2.2.1.02,6]heptane?
The IUPAC name of (2R,3S,5S,6S)-3,5-dibromotricyclo[2.2.1.02,6]heptane (CID 76763972) is (2R,3S,5S,6S)-3,5-dibromotricyclo[2.2.1.02,6]heptane.
What is the SMILES notation for (2R,3S,5S,6S)-3,5-dibromotricyclo[2.2.1.02,6]heptane?
The canonical SMILES for (2R,3S,5S,6S)-3,5-dibromotricyclo[2.2.1.02,6]heptane is Br[C@@H]1C2CC3[C@@H]1[C@H]3[C@@H]2Br.
What is the InChIKey of (2R,3S,5S,6S)-3,5-dibromotricyclo[2.2.1.02,6]heptane?
The InChIKey is SYFIGJNFOVWPEX-LURNONNXSA-N. The full InChI is InChI=1S/C7H8Br2/c8-6-3-1-2-4(6)5(2)7(3)9/h2-7H,1H2/t2?,3?,4-,5+,6-,7-/m1/s1.
What are the key properties of (2R,3S,5S,6S)-3,5-dibromotricyclo[2.2.1.02,6]heptane?
(2R,3S,5S,6S)-3,5-dibromotricyclo[2.2.1.02,6]heptane has a molecular weight of 251.95 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S,6S)-3,5-dibromotricyclo[2.2.1.02,6]heptane is sourced from PubChem (CID 76763972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).