4-(chloromethyl)-2-(2-propoxyphenoxy)pyridine

C15H16ClNO2 — CID 61268969

IUPAC4-(chloromethyl)-2-(2-propoxyphenoxy)pyridine
SMILESCCCOc1ccccc1Oc1cc(CCl)ccn1
InChIInChI=1S/C15H16ClNO2/c1-2-9-18-13-5-3-4-6-14(13)19-15-10-12(11-16)7-8-17-15/h3-8,10H,2,9,11H2,1H3
InChIKeyZFELLVXEYDFXCH-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.40
Rot. Bonds6

About 4-(chloromethyl)-2-(2-propoxyphenoxy)pyridine

4-(chloromethyl)-2-(2-propoxyphenoxy)pyridine (PubChem CID 61268969) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2-propoxyphenoxy)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2-propoxyphenoxy)pyridine
PubChem CID61268969
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name4-(chloromethyl)-2-(2-propoxyphenoxy)pyridine
SMILESCCCOc1ccccc1Oc1cc(CCl)ccn1
InChIInChI=1S/C15H16ClNO2/c1-2-9-18-13-5-3-4-6-14(13)19-15-10-12(11-16)7-8-17-15/h3-8,10H,2,9,11H2,1H3
InChIKeyZFELLVXEYDFXCH-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

2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine
CID 62239879
3-chloro-2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine
CID 61268786
4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
CID 61269154
3-[[4-(chloromethyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 61269544
1-(6-chlorohexoxy)-2-propoxybenzene
CID 63499119
1-(chloromethoxy)-2-propoxybenzene
CID 79530194
5-methyl-2-(2-propoxyphenoxy)pyridin-4-amine
CID 83266265
4-(chloromethyl)-2-methoxypyridine;hydrochloride
CID 22625003
[4-[(2-propoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 63888254
2-(4-bromo-2,5-dichlorophenoxy)-4-(chloromethyl)pyridine
CID 107660062
N-[[2-(2-chlorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 62297828
3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile
CID 107058762

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(2-propoxyphenoxy)pyridine?
The IUPAC name of 4-(chloromethyl)-2-(2-propoxyphenoxy)pyridine (CID 61268969) is 4-(chloromethyl)-2-(2-propoxyphenoxy)pyridine.
What is the SMILES notation for 4-(chloromethyl)-2-(2-propoxyphenoxy)pyridine?
The canonical SMILES for 4-(chloromethyl)-2-(2-propoxyphenoxy)pyridine is CCCOc1ccccc1Oc1cc(CCl)ccn1.
What is the InChIKey of 4-(chloromethyl)-2-(2-propoxyphenoxy)pyridine?
The InChIKey is ZFELLVXEYDFXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-2-9-18-13-5-3-4-6-14(13)19-15-10-12(11-16)7-8-17-15/h3-8,10H,2,9,11H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(2-propoxyphenoxy)pyridine?
4-(chloromethyl)-2-(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 4-(chloromethyl)-2-(2-propoxyphenoxy)pyridine is sourced from PubChem (CID 61268969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).