(1R,2S,3R,4S)-2-bromo-3-chlorobicyclo[2.2.1]heptane

C7H10BrCl — CID 131091370

IUPAC(1R,2S,3R,4S)-2-bromo-3-chlorobicyclo[2.2.1]heptane
SMILESCl[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1Br
InChIInChI=1S/C7H10BrCl/c8-6-4-1-2-5(3-4)7(6)9/h4-7H,1-3H2/t4-,5+,6+,7-/m1/s1
InChIKeyMFXKLVIFXLYPMA-JRTVQGFMSA-N
MW209.51 g/mol
LogP2.79
Rot. Bonds

About (1R,2S,3R,4S)-2-bromo-3-chlorobicyclo[2.2.1]heptane

(1R,2S,3R,4S)-2-bromo-3-chlorobicyclo[2.2.1]heptane (PubChem CID 131091370) has the molecular formula C7H10BrCl and a molecular weight of 209.51 g/mol. Its IUPAC name is (1R,2S,3R,4S)-2-bromo-3-chlorobicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,2S,3R,4S)-2-bromo-3-chlorobicyclo[2.2.1]heptane
PubChem CID131091370
Molecular FormulaC7H10BrCl
Molecular Weight209.51 g/mol
Exact Mass207.97
IUPAC Name(1R,2S,3R,4S)-2-bromo-3-chlorobicyclo[2.2.1]heptane
SMILESCl[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1Br
InChIInChI=1S/C7H10BrCl/c8-6-4-1-2-5(3-4)7(6)9/h4-7H,1-3H2/t4-,5+,6+,7-/m1/s1
InChIKeyMFXKLVIFXLYPMA-JRTVQGFMSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.51
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1R,2S,3R,4S)-2-bromo-3-chlorobicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dichlorobicyclo[2.2.1]heptane
CID 3613638
(2S,3S)-2,3-dibromobicyclo[2.2.1]heptane
CID 102417955
(1S,2S,3R,4S)-2-bromo-3-[[(1S,2S,3R,4S)-3-bromo-2-bicyclo[2.2.1]heptanyl]sulfanyl]bicyclo[2.2.1]heptane
CID 124773964
2-chloro-3-(chloromethyl)bicyclo[2.2.1]heptane
CID 169002738
(1S,2R,3R,4S)-2-bromo-3-[[(1S,2S,3S,4S)-3-bromo-2-bicyclo[2.2.1]heptanyl]sulfanyl]bicyclo[2.2.1]heptane
CID 124773966
(1R,2S,3R,4S)-2-bromo-3-[[(1R,2R,3R,4S)-3-bromo-2-bicyclo[2.2.1]heptanyl]sulfanyl]bicyclo[2.2.1]heptane
CID 11899531
(1R,3R,6R,8R)-tricyclo[4.4.0.03,8]decane
CID 91618084
(2R,6R)-tricyclo[4.2.1.12,5]decane
CID 134081586
(1S,2R,3S,4S)-2-bromo-3-nitrosobicyclo[2.2.1]heptane
CID 98513283
(1R,2R,3R,4S)-2-bromo-3-[bromo(difluoro)methyl]bicyclo[2.2.1]heptane
CID 14387272
(1R,2S,4S,7S)-7-chlorobicyclo[2.2.1]heptan-2-ol
CID 130827035
(2R,3S,5S,6R)-1-bromo-2,3,4,5,6-pentachlorocyclohexane
CID 102018824

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4S)-2-bromo-3-chlorobicyclo[2.2.1]heptane?
The IUPAC name of (1R,2S,3R,4S)-2-bromo-3-chlorobicyclo[2.2.1]heptane (CID 131091370) is (1R,2S,3R,4S)-2-bromo-3-chlorobicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,2S,3R,4S)-2-bromo-3-chlorobicyclo[2.2.1]heptane?
The canonical SMILES for (1R,2S,3R,4S)-2-bromo-3-chlorobicyclo[2.2.1]heptane is Cl[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1Br.
What is the InChIKey of (1R,2S,3R,4S)-2-bromo-3-chlorobicyclo[2.2.1]heptane?
The InChIKey is MFXKLVIFXLYPMA-JRTVQGFMSA-N. The full InChI is InChI=1S/C7H10BrCl/c8-6-4-1-2-5(3-4)7(6)9/h4-7H,1-3H2/t4-,5+,6+,7-/m1/s1.
What are the key properties of (1R,2S,3R,4S)-2-bromo-3-chlorobicyclo[2.2.1]heptane?
(1R,2S,3R,4S)-2-bromo-3-chlorobicyclo[2.2.1]heptane has a molecular weight of 209.51 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4S)-2-bromo-3-chlorobicyclo[2.2.1]heptane is sourced from PubChem (CID 131091370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).