3-(chloromethyl)-5-(3-propan-2-ylphenoxy)pyridine

C15H16ClNO — CID 113469499

IUPAC3-(chloromethyl)-5-(3-propan-2-ylphenoxy)pyridine
SMILESCC(C)c1cccc(Oc2cncc(CCl)c2)c1
InChIInChI=1S/C15H16ClNO/c1-11(2)13-4-3-5-14(7-13)18-15-6-12(8-16)9-17-10-15/h3-7,9-11H,8H2,1-2H3
InChIKeyPXLYHJBVJAFOSZ-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.74
Rot. Bonds4

About 3-(chloromethyl)-5-(3-propan-2-ylphenoxy)pyridine

3-(chloromethyl)-5-(3-propan-2-ylphenoxy)pyridine (PubChem CID 113469499) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 3-(chloromethyl)-5-(3-propan-2-ylphenoxy)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-5-(3-propan-2-ylphenoxy)pyridine
PubChem CID113469499
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name3-(chloromethyl)-5-(3-propan-2-ylphenoxy)pyridine
SMILESCC(C)c1cccc(Oc2cncc(CCl)c2)c1
InChIInChI=1S/C15H16ClNO/c1-11(2)13-4-3-5-14(7-13)18-15-6-12(8-16)9-17-10-15/h3-7,9-11H,8H2,1-2H3
InChIKeyPXLYHJBVJAFOSZ-UHFFFAOYSA-N
XLogP4.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.74
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

5-(chloromethyl)-2-(3-propan-2-ylphenoxy)pyrimidine
CID 113387977
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
3-(chloromethyl)-4-(3-propan-2-ylphenoxy)pyridine
CID 81233837
[3-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63943480
2-chloro-5-(3-propan-2-ylphenoxy)pyridine
CID 82225199
3-(chloromethyl)-5-(4-chlorophenoxy)pyridine
CID 112693982
3-(chloromethyl)-5-(3-fluoro-4-methylphenoxy)pyridine
CID 107169727
1-methyl-3-(3-propan-2-ylphenoxy)benzene
CID 70851605
4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine
CID 80943842
4-chloro-2-(chloromethyl)-1-(3-propan-2-ylphenoxy)benzene
CID 114846940
[3-bromo-5-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 102814464
CID 91869714
CID 91869714

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-5-(3-propan-2-ylphenoxy)pyridine?
The IUPAC name of 3-(chloromethyl)-5-(3-propan-2-ylphenoxy)pyridine (CID 113469499) is 3-(chloromethyl)-5-(3-propan-2-ylphenoxy)pyridine.
What is the SMILES notation for 3-(chloromethyl)-5-(3-propan-2-ylphenoxy)pyridine?
The canonical SMILES for 3-(chloromethyl)-5-(3-propan-2-ylphenoxy)pyridine is CC(C)c1cccc(Oc2cncc(CCl)c2)c1.
What is the InChIKey of 3-(chloromethyl)-5-(3-propan-2-ylphenoxy)pyridine?
The InChIKey is PXLYHJBVJAFOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11(2)13-4-3-5-14(7-13)18-15-6-12(8-16)9-17-10-15/h3-7,9-11H,8H2,1-2H3.
What are the key properties of 3-(chloromethyl)-5-(3-propan-2-ylphenoxy)pyridine?
3-(chloromethyl)-5-(3-propan-2-ylphenoxy)pyridine has a molecular weight of 261.75 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-5-(3-propan-2-ylphenoxy)pyridine is sourced from PubChem (CID 113469499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).