3-(chloromethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine

C16H24ClNO — CID 63446048

IUPAC3-(chloromethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine
SMILESCC1CCC(C(C)C)C(Oc2ncccc2CCl)C1
InChIInChI=1S/C16H24ClNO/c1-11(2)14-7-6-12(3)9-15(14)19-16-13(10-17)5-4-8-18-16/h4-5,8,11-12,14-15H,6-7,9-10H2,1-3H3
InChIKeyPGWHDIQVZVMHMS-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.66
Rot. Bonds4

About 3-(chloromethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine

3-(chloromethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine (PubChem CID 63446048) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine
PubChem CID63446048
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name3-(chloromethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine
SMILESCC1CCC(C(C)C)C(Oc2ncccc2CCl)C1
InChIInChI=1S/C16H24ClNO/c1-11(2)14-7-6-12(3)9-15(14)19-16-13(10-17)5-4-8-18-16/h4-5,8,11-12,14-15H,6-7,9-10H2,1-3H3
InChIKeyPGWHDIQVZVMHMS-UHFFFAOYSA-N
XLogP4.66
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.66
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

2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-3-sulfonyl chloride
CID 115928448
1-(chloromethyl)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzene
CID 178071017
3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid
CID 63072753
3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carbothioamide
CID 62895472
2-(chloromethyl)-5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazole
CID 80619230
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 2724987
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyfuran
CID 71368513
(5-methyl-2-propan-2-ylcyclohexyl) 3-aminopyridine-2-carboxylate
CID 104743106
6-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-nitropyridine
CID 43330212
[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 43101222
3-(chloromethyl)-2-(cyclohexylmethoxy)pyridine
CID 62383019

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine?
The IUPAC name of 3-(chloromethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine (CID 63446048) is 3-(chloromethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine?
The canonical SMILES for 3-(chloromethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine is CC1CCC(C(C)C)C(Oc2ncccc2CCl)C1.
What is the InChIKey of 3-(chloromethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine?
The InChIKey is PGWHDIQVZVMHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-11(2)14-7-6-12(3)9-15(14)19-16-13(10-17)5-4-8-18-16/h4-5,8,11-12,14-15H,6-7,9-10H2,1-3H3.
What are the key properties of 3-(chloromethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine?
3-(chloromethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine has a molecular weight of 281.83 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine is sourced from PubChem (CID 63446048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).