2-chloro-3-(cyclohexylmethoxy)-6-iodopyridine

C12H15ClINO — CID 156612379

IUPAC2-chloro-3-(cyclohexylmethoxy)-6-iodopyridine
SMILESClc1nc(I)ccc1OCC1CCCCC1
InChIInChI=1S/C12H15ClINO/c13-12-10(6-7-11(14)15-12)16-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2
InChIKeyQIKXPGLJUWQTEC-UHFFFAOYSA-N
MW351.62 g/mol
LogP4.30
Rot. Bonds3

About 2-chloro-3-(cyclohexylmethoxy)-6-iodopyridine

2-chloro-3-(cyclohexylmethoxy)-6-iodopyridine (PubChem CID 156612379) has the molecular formula C12H15ClINO and a molecular weight of 351.62 g/mol. Its IUPAC name is 2-chloro-3-(cyclohexylmethoxy)-6-iodopyridine.

Molecular Properties

Compound Name2-chloro-3-(cyclohexylmethoxy)-6-iodopyridine
PubChem CID156612379
Molecular FormulaC12H15ClINO
Molecular Weight351.62 g/mol
Exact Mass350.99
IUPAC Name2-chloro-3-(cyclohexylmethoxy)-6-iodopyridine
SMILESClc1nc(I)ccc1OCC1CCCCC1
InChIInChI=1S/C12H15ClINO/c13-12-10(6-7-11(14)15-12)16-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2
InChIKeyQIKXPGLJUWQTEC-UHFFFAOYSA-N
XLogP4.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.62
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-chloro-3-(cyclohexylmethoxy)-6-iodopyridine 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-chloro-3-(cyclohexylmethoxy)pyridine
CID 65101918
4-(cycloheptylmethoxy)-3-iodoaniline
CID 114248007
[5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine
CID 43141776
3-chloro-4-(cyclohexylmethoxy)benzonitrile
CID 60667232
3-chloro-4-(cyclobutylmethoxy)aniline
CID 65459362
2,3-dichloro-4-(cyclohexylmethoxy)benzenesulfonyl chloride
CID 43134405
2-(cyclopropylmethoxy)-3-(difluoromethoxy)-6-iodopyridine
CID 87454075
2-bromo-1-chloro-3-(cyclohexylmethoxy)benzene
CID 156587194
4-chloro-2-(cyclohexylmethoxy)benzoic acid
CID 61379401
2-(chloromethyl)-1-(cyclohexylmethoxy)-4-fluorobenzene
CID 107698926
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233
cyclopropylmethanol;2-(cyclopropylmethoxy)-6-iodo-3-methoxypyridine
CID 159114657

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(cyclohexylmethoxy)-6-iodopyridine?
The IUPAC name of 2-chloro-3-(cyclohexylmethoxy)-6-iodopyridine (CID 156612379) is 2-chloro-3-(cyclohexylmethoxy)-6-iodopyridine.
What is the SMILES notation for 2-chloro-3-(cyclohexylmethoxy)-6-iodopyridine?
The canonical SMILES for 2-chloro-3-(cyclohexylmethoxy)-6-iodopyridine is Clc1nc(I)ccc1OCC1CCCCC1.
What is the InChIKey of 2-chloro-3-(cyclohexylmethoxy)-6-iodopyridine?
The InChIKey is QIKXPGLJUWQTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClINO/c13-12-10(6-7-11(14)15-12)16-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2.
What are the key properties of 2-chloro-3-(cyclohexylmethoxy)-6-iodopyridine?
2-chloro-3-(cyclohexylmethoxy)-6-iodopyridine has a molecular weight of 351.62 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(cyclohexylmethoxy)-6-iodopyridine is sourced from PubChem (CID 156612379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).