5-(chloromethyl)-2-methyl-4-(2-propan-2-ylphenoxy)pyridine

C16H18ClNO — CID 81234196

IUPAC5-(chloromethyl)-2-methyl-4-(2-propan-2-ylphenoxy)pyridine
SMILESCc1cc(Oc2ccccc2C(C)C)c(CCl)cn1
InChIInChI=1S/C16H18ClNO/c1-11(2)14-6-4-5-7-15(14)19-16-8-12(3)18-10-13(16)9-17/h4-8,10-11H,9H2,1-3H3
InChIKeyYDQJWDIQCKCRHP-UHFFFAOYSA-N
MW275.78 g/mol
LogP5.04
Rot. Bonds4

About 5-(chloromethyl)-2-methyl-4-(2-propan-2-ylphenoxy)pyridine

5-(chloromethyl)-2-methyl-4-(2-propan-2-ylphenoxy)pyridine (PubChem CID 81234196) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 5-(chloromethyl)-2-methyl-4-(2-propan-2-ylphenoxy)pyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2-methyl-4-(2-propan-2-ylphenoxy)pyridine
PubChem CID81234196
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name5-(chloromethyl)-2-methyl-4-(2-propan-2-ylphenoxy)pyridine
SMILESCc1cc(Oc2ccccc2C(C)C)c(CCl)cn1
InChIInChI=1S/C16H18ClNO/c1-11(2)14-6-4-5-7-15(14)19-16-8-12(3)18-10-13(16)9-17/h4-8,10-11H,9H2,1-3H3
InChIKeyYDQJWDIQCKCRHP-UHFFFAOYSA-N
XLogP5.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.78
LogP ≤ 55.04
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)-4-(2-chlorophenoxy)-2-methylpyridine
CID 81233947
3-(chloromethyl)-2-(2-propan-2-ylphenoxy)pyridine
CID 61268632
[6-methyl-4-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81250497
3-[[5-(chloromethyl)-2-methyl-4-pyridinyl]oxy]quinoline
CID 107387701
5-(chloromethyl)-2-methyl-4-(trifluoromethoxy)pyridine
CID 130093298
5-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenoxy]pyridine
CID 81235542
4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine
CID 81233958
[6-methyl-4-(3-methyl-4-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 81238278
[4-(2-bromophenoxy)-6-methyl-3-pyridinyl]methanol
CID 81237020
5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine
CID 81233559
2-methyl-N-[[6-methyl-4-(2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81253703
4-(chloromethyl)-2-fluoro-1-(2-propan-2-ylphenoxy)benzene
CID 28947258

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-methyl-4-(2-propan-2-ylphenoxy)pyridine?
The IUPAC name of 5-(chloromethyl)-2-methyl-4-(2-propan-2-ylphenoxy)pyridine (CID 81234196) is 5-(chloromethyl)-2-methyl-4-(2-propan-2-ylphenoxy)pyridine.
What is the SMILES notation for 5-(chloromethyl)-2-methyl-4-(2-propan-2-ylphenoxy)pyridine?
The canonical SMILES for 5-(chloromethyl)-2-methyl-4-(2-propan-2-ylphenoxy)pyridine is Cc1cc(Oc2ccccc2C(C)C)c(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-2-methyl-4-(2-propan-2-ylphenoxy)pyridine?
The InChIKey is YDQJWDIQCKCRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11(2)14-6-4-5-7-15(14)19-16-8-12(3)18-10-13(16)9-17/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 5-(chloromethyl)-2-methyl-4-(2-propan-2-ylphenoxy)pyridine?
5-(chloromethyl)-2-methyl-4-(2-propan-2-ylphenoxy)pyridine has a molecular weight of 275.78 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-methyl-4-(2-propan-2-ylphenoxy)pyridine is sourced from PubChem (CID 81234196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).