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

C16H18ClNO — CID 61269909

IUPAC2-(chloromethyl)-4-(5-methyl-2-propan-2-ylphenoxy)pyridine
SMILESCc1ccc(C(C)C)c(Oc2ccnc(CCl)c2)c1
InChIInChI=1S/C16H18ClNO/c1-11(2)15-5-4-12(3)8-16(15)19-14-6-7-18-13(9-14)10-17/h4-9,11H,10H2,1-3H3
InChIKeyGABLTOVFSYRHGJ-UHFFFAOYSA-N
MW275.78 g/mol
LogP5.04
Rot. Bonds4

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

2-(chloromethyl)-4-(5-methyl-2-propan-2-ylphenoxy)pyridine (PubChem CID 61269909) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(5-methyl-2-propan-2-ylphenoxy)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(5-methyl-2-propan-2-ylphenoxy)pyridine
PubChem CID61269909
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-(chloromethyl)-4-(5-methyl-2-propan-2-ylphenoxy)pyridine
SMILESCc1ccc(C(C)C)c(Oc2ccnc(CCl)c2)c1
InChIInChI=1S/C16H18ClNO/c1-11(2)15-5-4-12(3)8-16(15)19-14-6-7-18-13(9-14)10-17/h4-9,11H,10H2,1-3H3
InChIKeyGABLTOVFSYRHGJ-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

2-(chloromethyl)-4-(2-fluoro-5-methylphenoxy)pyridine
CID 64855817
4-(chloromethyl)-3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine
CID 105383793
N-[[4-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62295739
5-(chloromethyl)-1,3-difluoro-2-(5-methyl-2-propan-2-ylphenoxy)benzene
CID 63567841
2-(chloromethyl)-4-naphthalen-1-yloxypyridine
CID 61269548
4-chloro-2-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine
CID 62481702
N-ethyl-5-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine
CID 104536364
[3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)-4-pyridinyl]methanol
CID 105383255
(1S)-1-[5-(5-methyl-2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
CID 103937752
(1R)-1-[5-(5-methyl-2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
CID 103937751
[4-(2-bromo-4-methylphenoxy)-2-pyridinyl]methanamine
CID 55125081
[6-methyl-4-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81250497

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(5-methyl-2-propan-2-ylphenoxy)pyridine?
The IUPAC name of 2-(chloromethyl)-4-(5-methyl-2-propan-2-ylphenoxy)pyridine (CID 61269909) is 2-(chloromethyl)-4-(5-methyl-2-propan-2-ylphenoxy)pyridine.
What is the SMILES notation for 2-(chloromethyl)-4-(5-methyl-2-propan-2-ylphenoxy)pyridine?
The canonical SMILES for 2-(chloromethyl)-4-(5-methyl-2-propan-2-ylphenoxy)pyridine is Cc1ccc(C(C)C)c(Oc2ccnc(CCl)c2)c1.
What is the InChIKey of 2-(chloromethyl)-4-(5-methyl-2-propan-2-ylphenoxy)pyridine?
The InChIKey is GABLTOVFSYRHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11(2)15-5-4-12(3)8-16(15)19-14-6-7-18-13(9-14)10-17/h4-9,11H,10H2,1-3H3.
What are the key properties of 2-(chloromethyl)-4-(5-methyl-2-propan-2-ylphenoxy)pyridine?
2-(chloromethyl)-4-(5-methyl-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 2-(chloromethyl)-4-(5-methyl-2-propan-2-ylphenoxy)pyridine is sourced from PubChem (CID 61269909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).