2-(chloromethyl)-5-cycloheptyloxypyridine

C13H18ClNO — CID 82929271

IUPAC2-(chloromethyl)-5-cycloheptyloxypyridine
SMILESClCc1ccc(OC2CCCCCC2)cn1
InChIInChI=1S/C13H18ClNO/c14-9-11-7-8-13(10-15-11)16-12-5-3-1-2-4-6-12/h7-8,10,12H,1-6,9H2
InChIKeyLZUBRBNYTWMVRA-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.92
Rot. Bonds3

About 2-(chloromethyl)-5-cycloheptyloxypyridine

2-(chloromethyl)-5-cycloheptyloxypyridine (PubChem CID 82929271) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-(chloromethyl)-5-cycloheptyloxypyridine.

Molecular Properties

Compound Name2-(chloromethyl)-5-cycloheptyloxypyridine
PubChem CID82929271
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-(chloromethyl)-5-cycloheptyloxypyridine
SMILESClCc1ccc(OC2CCCCCC2)cn1
InChIInChI=1S/C13H18ClNO/c14-9-11-7-8-13(10-15-11)16-12-5-3-1-2-4-6-12/h7-8,10,12H,1-6,9H2
InChIKeyLZUBRBNYTWMVRA-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
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-(chloromethyl)-5-cyclopropyloxypyridine
CID 130562964
5-cyclopentyloxy-2-ethylpyridine
CID 143839815
5-cyclohexyloxy-2-(2-methylpropyl)pyridine
CID 178141183
1-(5-cyclohexyloxy-2-pyridinyl)propan-2-amine
CID 79799617
2-(chloromethyl)-5-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine
CID 79893859
5-cycloheptyloxypyridine-2-carboxylic acid
CID 115491140
2-cyclohexyloxy-5-methoxypyridine
CID 170010378
N-methyl-1-[5-(4-methylcyclohexyl)oxy-2-pyridinyl]methanamine
CID 79776751
N-[[5-(3-ethylcyclohexyl)oxy-2-pyridinyl]methyl]ethanamine
CID 79775454
1-(5-cyclohexyloxy-2-pyridinyl)-N-methylpropan-1-amine
CID 112584679
3-cycloheptyloxypyridine
CID 112558615
2-[[6-(aminomethyl)-3-pyridinyl]oxy]cyclohexan-1-ol
CID 79775403

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-cycloheptyloxypyridine?
The IUPAC name of 2-(chloromethyl)-5-cycloheptyloxypyridine (CID 82929271) is 2-(chloromethyl)-5-cycloheptyloxypyridine.
What is the SMILES notation for 2-(chloromethyl)-5-cycloheptyloxypyridine?
The canonical SMILES for 2-(chloromethyl)-5-cycloheptyloxypyridine is ClCc1ccc(OC2CCCCCC2)cn1.
What is the InChIKey of 2-(chloromethyl)-5-cycloheptyloxypyridine?
The InChIKey is LZUBRBNYTWMVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c14-9-11-7-8-13(10-15-11)16-12-5-3-1-2-4-6-12/h7-8,10,12H,1-6,9H2.
What are the key properties of 2-(chloromethyl)-5-cycloheptyloxypyridine?
2-(chloromethyl)-5-cycloheptyloxypyridine has a molecular weight of 239.75 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-cycloheptyloxypyridine is sourced from PubChem (CID 82929271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).