5-chloro-2-cyclohexyl-4-iodopyridine

C11H13ClIN — CID 123984444

IUPAC5-chloro-2-cyclohexyl-4-iodopyridine
SMILESClc1cnc(C2CCCCC2)cc1I
InChIInChI=1S/C11H13ClIN/c12-9-7-14-11(6-10(9)13)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyFXDJRRATOFONJZ-UHFFFAOYSA-N
MW321.59 g/mol
LogP4.39
Rot. Bonds1

About 5-chloro-2-cyclohexyl-4-iodopyridine

5-chloro-2-cyclohexyl-4-iodopyridine (PubChem CID 123984444) has the molecular formula C11H13ClIN and a molecular weight of 321.59 g/mol. Its IUPAC name is 5-chloro-2-cyclohexyl-4-iodopyridine.

Molecular Properties

Compound Name5-chloro-2-cyclohexyl-4-iodopyridine
PubChem CID123984444
Molecular FormulaC11H13ClIN
Molecular Weight321.59 g/mol
Exact Mass320.98
IUPAC Name5-chloro-2-cyclohexyl-4-iodopyridine
SMILESClc1cnc(C2CCCCC2)cc1I
InChIInChI=1S/C11H13ClIN/c12-9-7-14-11(6-10(9)13)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyFXDJRRATOFONJZ-UHFFFAOYSA-N
XLogP4.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.59
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 71817735
4-chloro-6-cyclohexyl-3-methoxypyridazine
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CID 147044003
4-chloro-6-cyclopropylpyridine-3-carbonitrile
CID 162523629
6-chloro-2-cyclohexyl-3-iodofuro[3,2-b]pyridine
CID 171512500
2-cyclohexyl-5-methylpyridine
CID 83382376
2-(4-tert-butylphenyl)-5-chloro-4-(4-cyclohexylphenyl)pyridine
CID 171405147
4-chloro-2-cycloheptyl-6-cyclopentylpyrimidine
CID 113390255
4-[(5-chloro-4-iodo-2-pyridinyl)amino]cyclohexan-1-ol
CID 66937023
5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine
CID 59238866
5-tert-butyl-2-cyclohexylpyridine
CID 58094026
5-chloro-3-cyclopentyl-1,2-oxazole
CID 80645479

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyclohexyl-4-iodopyridine?
The IUPAC name of 5-chloro-2-cyclohexyl-4-iodopyridine (CID 123984444) is 5-chloro-2-cyclohexyl-4-iodopyridine.
What is the SMILES notation for 5-chloro-2-cyclohexyl-4-iodopyridine?
The canonical SMILES for 5-chloro-2-cyclohexyl-4-iodopyridine is Clc1cnc(C2CCCCC2)cc1I.
What is the InChIKey of 5-chloro-2-cyclohexyl-4-iodopyridine?
The InChIKey is FXDJRRATOFONJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClIN/c12-9-7-14-11(6-10(9)13)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 5-chloro-2-cyclohexyl-4-iodopyridine?
5-chloro-2-cyclohexyl-4-iodopyridine has a molecular weight of 321.59 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyclohexyl-4-iodopyridine is sourced from PubChem (CID 123984444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).