2-chloro-4-cyclohexyl-5-methylpyridine

C12H16ClN — CID 146459064

IUPAC2-chloro-4-cyclohexyl-5-methylpyridine
SMILESCc1cnc(Cl)cc1C1CCCCC1
InChIInChI=1S/C12H16ClN/c1-9-8-14-12(13)7-11(9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3
InChIKeySJOGRPPUDOYZFD-UHFFFAOYSA-N
MW209.72 g/mol
LogP4.09
Rot. Bonds1

About 2-chloro-4-cyclohexyl-5-methylpyridine

2-chloro-4-cyclohexyl-5-methylpyridine (PubChem CID 146459064) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 2-chloro-4-cyclohexyl-5-methylpyridine.

Molecular Properties

Compound Name2-chloro-4-cyclohexyl-5-methylpyridine
PubChem CID146459064
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name2-chloro-4-cyclohexyl-5-methylpyridine
SMILESCc1cnc(Cl)cc1C1CCCCC1
InChIInChI=1S/C12H16ClN/c1-9-8-14-12(13)7-11(9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3
InChIKeySJOGRPPUDOYZFD-UHFFFAOYSA-N
XLogP4.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyclohexyl-5-methylpyridine?
The IUPAC name of 2-chloro-4-cyclohexyl-5-methylpyridine (CID 146459064) is 2-chloro-4-cyclohexyl-5-methylpyridine.
What is the SMILES notation for 2-chloro-4-cyclohexyl-5-methylpyridine?
The canonical SMILES for 2-chloro-4-cyclohexyl-5-methylpyridine is Cc1cnc(Cl)cc1C1CCCCC1.
What is the InChIKey of 2-chloro-4-cyclohexyl-5-methylpyridine?
The InChIKey is SJOGRPPUDOYZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-9-8-14-12(13)7-11(9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3.
What are the key properties of 2-chloro-4-cyclohexyl-5-methylpyridine?
2-chloro-4-cyclohexyl-5-methylpyridine has a molecular weight of 209.72 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclohexyl-5-methylpyridine is sourced from PubChem (CID 146459064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).