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

C15H16ClNO — CID 61268632

IUPAC3-(chloromethyl)-2-(2-propan-2-ylphenoxy)pyridine
SMILESCC(C)c1ccccc1Oc1ncccc1CCl
InChIInChI=1S/C15H16ClNO/c1-11(2)13-7-3-4-8-14(13)18-15-12(10-16)6-5-9-17-15/h3-9,11H,10H2,1-2H3
InChIKeyHCXIIESUYTWDAL-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.74
Rot. Bonds4

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

3-(chloromethyl)-2-(2-propan-2-ylphenoxy)pyridine (PubChem CID 61268632) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(2-propan-2-ylphenoxy)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(2-propan-2-ylphenoxy)pyridine
PubChem CID61268632
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name3-(chloromethyl)-2-(2-propan-2-ylphenoxy)pyridine
SMILESCC(C)c1ccccc1Oc1ncccc1CCl
InChIInChI=1S/C15H16ClNO/c1-11(2)13-7-3-4-8-14(13)18-15-12(10-16)6-5-9-17-15/h3-9,11H,10H2,1-2H3
InChIKeyHCXIIESUYTWDAL-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

[2-(2-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 61255036
2-(2-propan-2-ylphenoxy)pyridine-3-sulfonyl chloride
CID 115928434
5-(chloromethyl)-2-methyl-4-(2-propan-2-ylphenoxy)pyridine
CID 81234196
1-[2-(2-butan-2-ylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62322019
[2-[2-(hydroxymethyl)phenoxy]-3-pyridinyl]methanol
CID 63653116
3-(chloromethyl)-2-(2,4-dichlorophenoxy)pyridine
CID 61268068
[3-fluoro-2-(2-propan-2-ylphenoxy)-4-pyridinyl]methanol
CID 105383273
3-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine
CID 61268037
2-(4-chloro-2-fluorophenoxy)-3-(chloromethyl)pyridine
CID 114267909
3-(chloromethyl)-2-pyridin-3-yloxypyridine
CID 61268783
3-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106448463
3-bromo-4-methyl-2-(2-propan-2-ylphenoxy)pyridine
CID 106877787

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(2-propan-2-ylphenoxy)pyridine?
The IUPAC name of 3-(chloromethyl)-2-(2-propan-2-ylphenoxy)pyridine (CID 61268632) is 3-(chloromethyl)-2-(2-propan-2-ylphenoxy)pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(2-propan-2-ylphenoxy)pyridine?
The canonical SMILES for 3-(chloromethyl)-2-(2-propan-2-ylphenoxy)pyridine is CC(C)c1ccccc1Oc1ncccc1CCl.
What is the InChIKey of 3-(chloromethyl)-2-(2-propan-2-ylphenoxy)pyridine?
The InChIKey is HCXIIESUYTWDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11(2)13-7-3-4-8-14(13)18-15-12(10-16)6-5-9-17-15/h3-9,11H,10H2,1-2H3.
What are the key properties of 3-(chloromethyl)-2-(2-propan-2-ylphenoxy)pyridine?
3-(chloromethyl)-2-(2-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)-2-(2-propan-2-ylphenoxy)pyridine is sourced from PubChem (CID 61268632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).