2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine

C15H16ClNO2 — CID 62239879

IUPAC2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine
SMILESCCCOc1ccccc1Oc1cccc(CCl)n1
InChIInChI=1S/C15H16ClNO2/c1-2-10-18-13-7-3-4-8-14(13)19-15-9-5-6-12(11-16)17-15/h3-9H,2,10-11H2,1H3
InChIKeyYELBOLUDEQPBEX-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.40
Rot. Bonds6

About 2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine

2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine (PubChem CID 62239879) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine
PubChem CID62239879
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine
SMILESCCCOc1ccccc1Oc1cccc(CCl)n1
InChIInChI=1S/C15H16ClNO2/c1-2-10-18-13-7-3-4-8-14(13)19-15-9-5-6-12(11-16)17-15/h3-9H,2,10-11H2,1H3
InChIKeyYELBOLUDEQPBEX-UHFFFAOYSA-N
XLogP4.40
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine
CID 61268786
2-(chloromethyl)-6-heptoxypyridine
CID 63446220
2-(chloromethyl)-6-(2-propan-2-ylphenoxy)pyridine
CID 62240218
4-(chloromethyl)-2-(2-propoxyphenoxy)pyridine
CID 61268969
[6-(2-propoxyphenoxy)pyrazin-2-yl]methanol
CID 66467765
1-(6-chlorohexoxy)-2-propoxybenzene
CID 63499119
1-(chloromethoxy)-2-propoxybenzene
CID 79530194
3-chloro-6-(2-propoxyphenoxy)pyridine-2-carboxylic acid
CID 29286211
2-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridine
CID 66232512
2-(chloromethyl)-6-(4-propylphenoxy)pyridine
CID 62550143
2-(chloromethyl)-6-(4-chloronaphthalen-1-yl)oxypyridine
CID 63446636
[2-(2-propoxyphenoxy)-1,3-oxazol-4-yl]methanamine
CID 113377974

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine?
The IUPAC name of 2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine (CID 62239879) is 2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine?
The canonical SMILES for 2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine is CCCOc1ccccc1Oc1cccc(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine?
The InChIKey is YELBOLUDEQPBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-2-10-18-13-7-3-4-8-14(13)19-15-9-5-6-12(11-16)17-15/h3-9H,2,10-11H2,1H3.
What are the key properties of 2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine?
2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine has a molecular weight of 277.75 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine is sourced from PubChem (CID 62239879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).