2-(chloromethyl)-6-(4-propylphenoxy)pyridine

C15H16ClNO — CID 62550143

IUPAC2-(chloromethyl)-6-(4-propylphenoxy)pyridine
SMILESCCCc1ccc(Oc2cccc(CCl)n2)cc1
InChIInChI=1S/C15H16ClNO/c1-2-4-12-7-9-14(10-8-12)18-15-6-3-5-13(11-16)17-15/h3,5-10H,2,4,11H2,1H3
InChIKeyBGXWEUYGUNPBEN-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.57
Rot. Bonds5

About 2-(chloromethyl)-6-(4-propylphenoxy)pyridine

2-(chloromethyl)-6-(4-propylphenoxy)pyridine (PubChem CID 62550143) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(4-propylphenoxy)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(4-propylphenoxy)pyridine
PubChem CID62550143
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-(chloromethyl)-6-(4-propylphenoxy)pyridine
SMILESCCCc1ccc(Oc2cccc(CCl)n2)cc1
InChIInChI=1S/C15H16ClNO/c1-2-4-12-7-9-14(10-8-12)18-15-6-3-5-13(11-16)17-15/h3,5-10H,2,4,11H2,1H3
InChIKeyBGXWEUYGUNPBEN-UHFFFAOYSA-N
XLogP4.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.57
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

[6-(4-ethylphenoxy)-2-pyridinyl]methanol
CID 55053177
1-[6-(4-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62298335
N-[[6-(4-ethylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62298336
2-(chloromethyl)-6-heptoxypyridine
CID 63446220
2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine
CID 62239879
2-ethyl-6-phenoxypyridine
CID 19828151
2-[4-[(6-methoxy-2-pyridinyl)oxy]phenyl]ethanamine
CID 63590271
2-(chloromethyl)-6-(2,3-dihydro-1H-inden-5-yloxy)pyridine
CID 62240738
2-phenoxy-6-(3-phenylpropyl)pyridine
CID 59649755
[6-[(4-propylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908300
(4-propylphenyl) hypochlorite
CID 175330115
2-(chloromethyl)-5-(4-propylphenoxy)-1,3,4-thiadiazole
CID 80618865

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-(4-propylphenoxy)pyridine?
The IUPAC name of 2-(chloromethyl)-6-(4-propylphenoxy)pyridine (CID 62550143) is 2-(chloromethyl)-6-(4-propylphenoxy)pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-(4-propylphenoxy)pyridine?
The canonical SMILES for 2-(chloromethyl)-6-(4-propylphenoxy)pyridine is CCCc1ccc(Oc2cccc(CCl)n2)cc1.
What is the InChIKey of 2-(chloromethyl)-6-(4-propylphenoxy)pyridine?
The InChIKey is BGXWEUYGUNPBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-2-4-12-7-9-14(10-8-12)18-15-6-3-5-13(11-16)17-15/h3,5-10H,2,4,11H2,1H3.
What are the key properties of 2-(chloromethyl)-6-(4-propylphenoxy)pyridine?
2-(chloromethyl)-6-(4-propylphenoxy)pyridine has a molecular weight of 261.75 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(4-propylphenoxy)pyridine is sourced from PubChem (CID 62550143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).