4-(chloromethyl)-3-(3-ethylphenoxy)pyridine

C14H14ClNO — CID 105067622

IUPAC4-(chloromethyl)-3-(3-ethylphenoxy)pyridine
SMILESCCc1cccc(Oc2cnccc2CCl)c1
InChIInChI=1S/C14H14ClNO/c1-2-11-4-3-5-13(8-11)17-14-10-16-7-6-12(14)9-15/h3-8,10H,2,9H2,1H3
InChIKeyDEHRRHXMGJOHEI-UHFFFAOYSA-N
MW247.72 g/mol
LogP4.18
Rot. Bonds4

About 4-(chloromethyl)-3-(3-ethylphenoxy)pyridine

4-(chloromethyl)-3-(3-ethylphenoxy)pyridine (PubChem CID 105067622) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 4-(chloromethyl)-3-(3-ethylphenoxy)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-3-(3-ethylphenoxy)pyridine
PubChem CID105067622
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name4-(chloromethyl)-3-(3-ethylphenoxy)pyridine
SMILESCCc1cccc(Oc2cnccc2CCl)c1
InChIInChI=1S/C14H14ClNO/c1-2-11-4-3-5-13(8-11)17-14-10-16-7-6-12(14)9-15/h3-8,10H,2,9H2,1H3
InChIKeyDEHRRHXMGJOHEI-UHFFFAOYSA-N
XLogP4.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 54.18
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

4-(chloromethyl)-3-(3,5-dimethylphenoxy)pyridine
CID 105067653
2-chloro-1-(chloromethyl)-4-(3-ethylphenoxy)benzene
CID 114064490
3-(4-bromophenoxy)-4-(chloromethyl)pyridine
CID 105067647
4-(chloromethyl)-3-(2,3-dimethylphenoxy)pyridine
CID 105067641
3-(chloromethyl)-4-(3-propan-2-ylphenoxy)pyridine
CID 81233837
[3-[3-(dimethylamino)phenoxy]-4-pyridinyl]methanol
CID 105067102
4-(chloromethyl)-3-(5-chloro-2-methylphenoxy)pyridine
CID 105067739
3-(chloromethyl)-6-(3-ethylphenoxy)pyridazine
CID 61270085
[4-(3-ethylphenoxy)-6-methyl-3-pyridinyl]methanamine
CID 81255400
[3-(3,4-dichlorophenoxy)-4-pyridinyl]methanol
CID 105067098
N-[[3-(3-ethoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075595
1,3-bis[2-(chloromethyl)phenoxy]benzene
CID 19038526

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-(3-ethylphenoxy)pyridine?
The IUPAC name of 4-(chloromethyl)-3-(3-ethylphenoxy)pyridine (CID 105067622) is 4-(chloromethyl)-3-(3-ethylphenoxy)pyridine.
What is the SMILES notation for 4-(chloromethyl)-3-(3-ethylphenoxy)pyridine?
The canonical SMILES for 4-(chloromethyl)-3-(3-ethylphenoxy)pyridine is CCc1cccc(Oc2cnccc2CCl)c1.
What is the InChIKey of 4-(chloromethyl)-3-(3-ethylphenoxy)pyridine?
The InChIKey is DEHRRHXMGJOHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-2-11-4-3-5-13(8-11)17-14-10-16-7-6-12(14)9-15/h3-8,10H,2,9H2,1H3.
What are the key properties of 4-(chloromethyl)-3-(3-ethylphenoxy)pyridine?
4-(chloromethyl)-3-(3-ethylphenoxy)pyridine has a molecular weight of 247.72 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-(3-ethylphenoxy)pyridine is sourced from PubChem (CID 105067622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).