5-(chloromethyl)-2-(4-methylcyclohexyl)oxypyridine

C13H18ClNO — CID 61258072

IUPAC5-(chloromethyl)-2-(4-methylcyclohexyl)oxypyridine
SMILESCC1CCC(Oc2ccc(CCl)cn2)CC1
InChIInChI=1S/C13H18ClNO/c1-10-2-5-12(6-3-10)16-13-7-4-11(8-14)9-15-13/h4,7,9-10,12H,2-3,5-6,8H2,1H3
InChIKeyNNAREHPRNCTNAT-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.78
Rot. Bonds3

About 5-(chloromethyl)-2-(4-methylcyclohexyl)oxypyridine

5-(chloromethyl)-2-(4-methylcyclohexyl)oxypyridine (PubChem CID 61258072) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(4-methylcyclohexyl)oxypyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2-(4-methylcyclohexyl)oxypyridine
PubChem CID61258072
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name5-(chloromethyl)-2-(4-methylcyclohexyl)oxypyridine
SMILESCC1CCC(Oc2ccc(CCl)cn2)CC1
InChIInChI=1S/C13H18ClNO/c1-10-2-5-12(6-3-10)16-13-7-4-11(8-14)9-15-13/h4,7,9-10,12H,2-3,5-6,8H2,1H3
InChIKeyNNAREHPRNCTNAT-UHFFFAOYSA-N
XLogP3.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-2-(oxolan-3-yloxy)pyridine
CID 63557481
3-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridazine
CID 61255586
5-(chloromethyl)-2-ethoxypyridine
CID 10535190
5-(chloromethyl)-2-ethoxypyridine;hydrochloride
CID 21271667
3-chloro-2-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridine
CID 63446263
[6-(3-methylcyclohexyl)oxy-3-pyridinyl]methanol
CID 61256970
5-(chloromethyl)-2-(2-cyclobutylethoxy)pyridine
CID 106203581
5-bromo-2-(3-methylcyclopentyl)oxypyridine
CID 67995994
2-cyclohexyloxy-5-methoxypyridine
CID 170010378
N-[(6-cycloheptyloxy-3-pyridinyl)methyl]ethanamine
CID 62298054
5-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
CID 61268972
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylcycloheptan-1-amine
CID 65081064

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(4-methylcyclohexyl)oxypyridine?
The IUPAC name of 5-(chloromethyl)-2-(4-methylcyclohexyl)oxypyridine (CID 61258072) is 5-(chloromethyl)-2-(4-methylcyclohexyl)oxypyridine.
What is the SMILES notation for 5-(chloromethyl)-2-(4-methylcyclohexyl)oxypyridine?
The canonical SMILES for 5-(chloromethyl)-2-(4-methylcyclohexyl)oxypyridine is CC1CCC(Oc2ccc(CCl)cn2)CC1.
What is the InChIKey of 5-(chloromethyl)-2-(4-methylcyclohexyl)oxypyridine?
The InChIKey is NNAREHPRNCTNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10-2-5-12(6-3-10)16-13-7-4-11(8-14)9-15-13/h4,7,9-10,12H,2-3,5-6,8H2,1H3.
What are the key properties of 5-(chloromethyl)-2-(4-methylcyclohexyl)oxypyridine?
5-(chloromethyl)-2-(4-methylcyclohexyl)oxypyridine has a molecular weight of 239.75 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(4-methylcyclohexyl)oxypyridine is sourced from PubChem (CID 61258072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).