3-chloro-5-iodotricyclo[2.2.1.02,6]heptane

C7H8ClI — CID 91699610

IUPAC3-chloro-5-iodotricyclo[2.2.1.02,6]heptane
SMILESClC1C2CC3C1C3C2I
InChIInChI=1S/C7H8ClI/c8-6-3-1-2-4(6)5(2)7(3)9/h2-7H,1H2
InChIKeyDTHZWZZYJVYLPI-UHFFFAOYSA-N
MW254.50 g/mol
LogP2.29
Rot. Bonds

About 3-chloro-5-iodotricyclo[2.2.1.02,6]heptane

3-chloro-5-iodotricyclo[2.2.1.02,6]heptane (PubChem CID 91699610) has the molecular formula C7H8ClI and a molecular weight of 254.50 g/mol. Its IUPAC name is 3-chloro-5-iodotricyclo[2.2.1.02,6]heptane.

Molecular Properties

Compound Name3-chloro-5-iodotricyclo[2.2.1.02,6]heptane
PubChem CID91699610
Molecular FormulaC7H8ClI
Molecular Weight254.50 g/mol
Exact Mass253.94
IUPAC Name3-chloro-5-iodotricyclo[2.2.1.02,6]heptane
SMILESClC1C2CC3C1C3C2I
InChIInChI=1S/C7H8ClI/c8-6-3-1-2-4(6)5(2)7(3)9/h2-7H,1H2
InChIKeyDTHZWZZYJVYLPI-UHFFFAOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.50
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,3R,4S,5R,6R)-5-chlorotricyclo[2.2.1.02,6]heptane-3-carboxylic acid
CID 98141134
(1S,2S,3R,4S,5R,6R)-5-chlorotricyclo[2.2.1.02,6]heptane-3-carboxylic acid
CID 98194764
(1R,2R,3S,4R,5R,6R,7S,8S,9S,10R)-7-iodopentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-ol
CID 2304080
(1R,2R,3S,4R,5R,6R,7S,8R,9R,10S)-7-iodopentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-ol
CID 129421495
(1R,3R)-3-chlorotricyclo[2.2.1.02,6]heptane
CID 102212512
(1S,2R,3S,5R,6S,7R,8S,9S,10R)-7-iodopentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-one
CID 129463355
4-chloropentacyclo[4.3.0.02,5.03,8.04,7]nonane
CID 10397012
5-chloro-2-(trifluoromethyl)bicyclo[2.1.0]pentane
CID 174296709
2-(7,11-diiodo-1-pentacyclo[6.3.0.02,6.03,10.05,9]undecanyl)ethyl nitrate
CID 5204986
2-[(1R,2R,3S,5S,6R,7S,8S,9S,10S,11R)-7,11-diiodo-1-pentacyclo[6.3.0.02,6.03,10.05,9]undecanyl]ethyl nitrate
CID 98083989
(2R,3S,5S,6S)-3,5-dibromotricyclo[2.2.1.02,6]heptane
CID 76763972
4,5,11,12-tetramethylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane
CID 23600006

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-iodotricyclo[2.2.1.02,6]heptane?
The IUPAC name of 3-chloro-5-iodotricyclo[2.2.1.02,6]heptane (CID 91699610) is 3-chloro-5-iodotricyclo[2.2.1.02,6]heptane.
What is the SMILES notation for 3-chloro-5-iodotricyclo[2.2.1.02,6]heptane?
The canonical SMILES for 3-chloro-5-iodotricyclo[2.2.1.02,6]heptane is ClC1C2CC3C1C3C2I.
What is the InChIKey of 3-chloro-5-iodotricyclo[2.2.1.02,6]heptane?
The InChIKey is DTHZWZZYJVYLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClI/c8-6-3-1-2-4(6)5(2)7(3)9/h2-7H,1H2.
What are the key properties of 3-chloro-5-iodotricyclo[2.2.1.02,6]heptane?
3-chloro-5-iodotricyclo[2.2.1.02,6]heptane has a molecular weight of 254.50 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-iodotricyclo[2.2.1.02,6]heptane is sourced from PubChem (CID 91699610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).