3-(chloromethyl)-4-(2,6-dimethoxyphenoxy)pyridine

C14H14ClNO3 — CID 81235555

IUPAC3-(chloromethyl)-4-(2,6-dimethoxyphenoxy)pyridine
SMILESCOc1cccc(OC)c1Oc1ccncc1CCl
InChIInChI=1S/C14H14ClNO3/c1-17-12-4-3-5-13(18-2)14(12)19-11-6-7-16-9-10(11)8-15/h3-7,9H,8H2,1-2H3
InChIKeyGQDLBUBPGYXLSY-UHFFFAOYSA-N
MW279.72 g/mol
LogP3.63
Rot. Bonds5

About 3-(chloromethyl)-4-(2,6-dimethoxyphenoxy)pyridine

3-(chloromethyl)-4-(2,6-dimethoxyphenoxy)pyridine (PubChem CID 81235555) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 3-(chloromethyl)-4-(2,6-dimethoxyphenoxy)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-4-(2,6-dimethoxyphenoxy)pyridine
PubChem CID81235555
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name3-(chloromethyl)-4-(2,6-dimethoxyphenoxy)pyridine
SMILESCOc1cccc(OC)c1Oc1ccncc1CCl
InChIInChI=1S/C14H14ClNO3/c1-17-12-4-3-5-13(18-2)14(12)19-11-6-7-16-9-10(11)8-15/h3-7,9H,8H2,1-2H3
InChIKeyGQDLBUBPGYXLSY-UHFFFAOYSA-N
XLogP3.63
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-4-(2-methoxy-4-methylphenoxy)pyridine
CID 81234048
4-(2-tert-butylphenoxy)-3-(chloromethyl)pyridine
CID 81234744
3-(chloromethyl)-4-(3-propan-2-ylphenoxy)pyridine
CID 81233837
3-(chloromethyl)-4-(2-chloro-5-methylphenoxy)pyridine
CID 81234889
N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypyridin-3-amine
CID 75430755
4-(chloromethyl)-1-(2-methoxyphenoxy)isoquinoline
CID 106769529
3-(iodomethyl)-4-methoxypyridine
CID 130559780
4-(chloromethyl)-3-(2,3-dimethylphenoxy)pyridine
CID 105067641
3-[[3-(chloromethyl)-4-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 81234059
1,2-dichloro-3-(2,6-dimethoxyphenoxy)benzene
CID 173291827
ethane;4-methoxy-3-propylpyridine
CID 176962232
3-(chloromethyl)-4-[(2-fluorophenyl)methoxy]pyridine
CID 81235169

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-4-(2,6-dimethoxyphenoxy)pyridine?
The IUPAC name of 3-(chloromethyl)-4-(2,6-dimethoxyphenoxy)pyridine (CID 81235555) is 3-(chloromethyl)-4-(2,6-dimethoxyphenoxy)pyridine.
What is the SMILES notation for 3-(chloromethyl)-4-(2,6-dimethoxyphenoxy)pyridine?
The canonical SMILES for 3-(chloromethyl)-4-(2,6-dimethoxyphenoxy)pyridine is COc1cccc(OC)c1Oc1ccncc1CCl.
What is the InChIKey of 3-(chloromethyl)-4-(2,6-dimethoxyphenoxy)pyridine?
The InChIKey is GQDLBUBPGYXLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-17-12-4-3-5-13(18-2)14(12)19-11-6-7-16-9-10(11)8-15/h3-7,9H,8H2,1-2H3.
What are the key properties of 3-(chloromethyl)-4-(2,6-dimethoxyphenoxy)pyridine?
3-(chloromethyl)-4-(2,6-dimethoxyphenoxy)pyridine has a molecular weight of 279.72 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4-(2,6-dimethoxyphenoxy)pyridine is sourced from PubChem (CID 81235555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).