4-(chloromethyl)-3-(3,5-dimethylphenoxy)pyridine

C14H14ClNO — CID 105067653

IUPAC4-(chloromethyl)-3-(3,5-dimethylphenoxy)pyridine
SMILESCc1cc(C)cc(Oc2cnccc2CCl)c1
InChIInChI=1S/C14H14ClNO/c1-10-5-11(2)7-13(6-10)17-14-9-16-4-3-12(14)8-15/h3-7,9H,8H2,1-2H3
InChIKeyMEMBRKGDPBOUFY-UHFFFAOYSA-N
MW247.72 g/mol
LogP4.23
Rot. Bonds3

About 4-(chloromethyl)-3-(3,5-dimethylphenoxy)pyridine

4-(chloromethyl)-3-(3,5-dimethylphenoxy)pyridine (PubChem CID 105067653) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 4-(chloromethyl)-3-(3,5-dimethylphenoxy)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-3-(3,5-dimethylphenoxy)pyridine
PubChem CID105067653
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name4-(chloromethyl)-3-(3,5-dimethylphenoxy)pyridine
SMILESCc1cc(C)cc(Oc2cnccc2CCl)c1
InChIInChI=1S/C14H14ClNO/c1-10-5-11(2)7-13(6-10)17-14-9-16-4-3-12(14)8-15/h3-7,9H,8H2,1-2H3
InChIKeyMEMBRKGDPBOUFY-UHFFFAOYSA-N
XLogP4.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 54.23
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-ethylphenoxy)pyridine
CID 105067622
3-(4-bromophenoxy)-4-(chloromethyl)pyridine
CID 105067647
4-(chloromethyl)-3-(5-chloro-2-methylphenoxy)pyridine
CID 105067739
4-(chloromethyl)-3-(2,3-dimethylphenoxy)pyridine
CID 105067641
N-[[3-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075531
[3-(3,4-dichlorophenoxy)-4-pyridinyl]methanol
CID 105067098
[3-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine
CID 59112975
3-(chloromethyl)-4-(2-chloro-5-methylphenoxy)pyridine
CID 81234889
3-(chloromethyl)-4-(2-methoxy-4-methylphenoxy)pyridine
CID 81234048
3-(chloromethyl)-4-(3-propan-2-ylphenoxy)pyridine
CID 81233837
[3-[3-(dimethylamino)phenoxy]-4-pyridinyl]methanol
CID 105067102
[3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methanol
CID 105067210

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-(3,5-dimethylphenoxy)pyridine?
The IUPAC name of 4-(chloromethyl)-3-(3,5-dimethylphenoxy)pyridine (CID 105067653) is 4-(chloromethyl)-3-(3,5-dimethylphenoxy)pyridine.
What is the SMILES notation for 4-(chloromethyl)-3-(3,5-dimethylphenoxy)pyridine?
The canonical SMILES for 4-(chloromethyl)-3-(3,5-dimethylphenoxy)pyridine is Cc1cc(C)cc(Oc2cnccc2CCl)c1.
What is the InChIKey of 4-(chloromethyl)-3-(3,5-dimethylphenoxy)pyridine?
The InChIKey is MEMBRKGDPBOUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-10-5-11(2)7-13(6-10)17-14-9-16-4-3-12(14)8-15/h3-7,9H,8H2,1-2H3.
What are the key properties of 4-(chloromethyl)-3-(3,5-dimethylphenoxy)pyridine?
4-(chloromethyl)-3-(3,5-dimethylphenoxy)pyridine has a molecular weight of 247.72 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-(3,5-dimethylphenoxy)pyridine is sourced from PubChem (CID 105067653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).