4-(chloromethyl)-2-cyclopentyloxypyridine

C11H14ClNO — CID 61257863

IUPAC4-(chloromethyl)-2-cyclopentyloxypyridine
SMILESClCc1ccnc(OC2CCCC2)c1
InChIInChI=1S/C11H14ClNO/c12-8-9-5-6-13-11(7-9)14-10-3-1-2-4-10/h5-7,10H,1-4,8H2
InChIKeyLIWVPBIQBBXTAN-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.14
Rot. Bonds3

About 4-(chloromethyl)-2-cyclopentyloxypyridine

4-(chloromethyl)-2-cyclopentyloxypyridine (PubChem CID 61257863) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 4-(chloromethyl)-2-cyclopentyloxypyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-cyclopentyloxypyridine
PubChem CID61257863
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name4-(chloromethyl)-2-cyclopentyloxypyridine
SMILESClCc1ccnc(OC2CCCC2)c1
InChIInChI=1S/C11H14ClNO/c12-8-9-5-6-13-11(7-9)14-10-3-1-2-4-10/h5-7,10H,1-4,8H2
InChIKeyLIWVPBIQBBXTAN-UHFFFAOYSA-N
XLogP3.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.14
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-cyclobutyloxy-4-ethylpyridine
CID 118553785
2-cyclopentyloxy-4-methylpyridine
CID 18779821
2-cyclohexyloxy-4-iodopyridine
CID 89498049
[2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine
CID 43126965
N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62287517
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56582075
2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-cyclopentylguanidine
CID 119121177
2-cyclohexyloxypyridine-4-carbaldehyde
CID 88984820
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970752
4-(chloromethyl)-2-methoxypyridine;hydrochloride
CID 22625003
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-fluoropyridin-2-amine
CID 100642321
4-[(2-cyclohexyloxy-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
CID 122030855

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-cyclopentyloxypyridine?
The IUPAC name of 4-(chloromethyl)-2-cyclopentyloxypyridine (CID 61257863) is 4-(chloromethyl)-2-cyclopentyloxypyridine.
What is the SMILES notation for 4-(chloromethyl)-2-cyclopentyloxypyridine?
The canonical SMILES for 4-(chloromethyl)-2-cyclopentyloxypyridine is ClCc1ccnc(OC2CCCC2)c1.
What is the InChIKey of 4-(chloromethyl)-2-cyclopentyloxypyridine?
The InChIKey is LIWVPBIQBBXTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-8-9-5-6-13-11(7-9)14-10-3-1-2-4-10/h5-7,10H,1-4,8H2.
What are the key properties of 4-(chloromethyl)-2-cyclopentyloxypyridine?
4-(chloromethyl)-2-cyclopentyloxypyridine has a molecular weight of 211.69 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-cyclopentyloxypyridine is sourced from PubChem (CID 61257863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).